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Chemical ID: 5991724

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)N4CCC(CC4)n5c6ccccc6[nH]c5=O

Chemical ID:

5991724

Name [?]:

1-[1-[2-(4-methoxyphenyl)-5-(5-methyl-2-furyl)-pyrazol-3-yl]carbonyl-4-piperidyl]-3H-benzoimidazol-2-one

SMILES [?]:

Cc1ccc(o1)c2cc(n(n2)c3ccc(cc3)OC)C(=O)N4CCC(CC4)n5c6ccccc6[nH]c5=O

InChi [?]:

InChI=1/C28H27N5O4/c1-18-7-12-26(37-18)23-17-25(33(30-23)20-8-10-21(36-2)11-9-20)27(34)31-15-13-19(14-16-31)32-24-6-4-3-5-22(24)29-28(32)35/h3-12,17,19H,13-16H2,1-2H3,(H,29,35)

InChi Info:

AuxInfo=1/1/N:1,19,32,31,33,30,3,13,17,14,16,4,24,26,23,27,8,2,25,12,15,34,7,29,9,5,20,36,35,11,22,28,10,21,37,18,6/E:(8,9)(10,11)(13,14)(15,16)/rA:37nCCCCCOCCCNNCCCCCCOCCONCCCCCNCCCCCCNCO/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s9;d7s10;s10;s12;d13;s14;d15;d12s16;s15;s18;s9;d20;s20;s22;s23;s24;s25;s22s26;s25;s28;s29;d30;s31;d32;d29s33;s34;s28s35;d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₇N₅O₄
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	12.7185
Area:	733.073
Solvation:	-5.60832
Coulombic:	-67.188

Bond Count [?]

All:	42
Single:	30
Double:	12
Rotors:	6
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	497.545
H-Bond Donors:	0
H-Bond Acceptors:	4
XLogP:	3.37
LogP (Chemaxon):	3.82

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value