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Chemical ID: 5982043

Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3)F)C(=O)N4CCC(CC4)n5c6ccccc6[nH]c5=O

Chemical ID:

5982043

Name [?]:

1-[1-[5-(4-fluorophenyl)-2-(p-tolyl)pyrazol-3-yl]carbonyl-4-piperidyl]-3H-benzoimidazol-2-one

SMILES [?]:

Cc1ccc(cc1)n2c(cc(n2)c3ccc(cc3)F)C(=O)N4CCC(CC4)n5c6ccccc6[nH]c5=O

InChi [?]:

InChI=1/C29H26FN5O2/c1-19-6-12-23(13-7-19)35-27(18-25(32-35)20-8-10-21(30)11-9-20)28(36)33-16-14-22(15-17-33)34-26-5-3-2-4-24(26)31-29(34)37/h2-13,18,22H,14-17H2,1H3,(H,31,37)

InChi Info:

AuxInfo=1/1/N:1,32,31,33,30,3,7,14,18,15,17,4,6,24,26,23,27,10,2,13,16,25,5,34,11,29,9,20,36,19,35,12,22,28,8,21,37/E:(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)/rA:37nCCCCCCCNCCCNCCCCCCFCONCCCCCNCCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s10;s8d11;s11;s13;d14;s15;d16;d13s17;s16;s9;d20;s20;s22;s23;s24;s25;s22s26;s25;s28;s29;d30;s31;d32;d29s33;s34;s28s35;d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₆FN₅O₂
All Atoms:	37
Heavy Atoms:	37
Chiral Atoms:	0

ZAP Information [?]

Total:	12.9483
Area:	708.07
Solvation:	-4.75347
Coulombic:	-57.7422

Bond Count [?]

All:	42
Single:	29
Double:	13
Rotors:	5
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	495.548
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	5.11
LogP (Chemaxon):	5.71

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