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Chemical ID: 6131835

Chemical ID:

6131835

Name [?]:

3-[2-[(4-chlorophenyl)methyl]benzoimidazol-1-yl]propanoic acid

SMILES [?]:

c1ccc2c(c1)nc(n2CCC(=O)O)Cc3ccc(cc3)Cl

InChi [?]:

InChI=1/C17H15ClN2O2/c18-13-7-5-12(6-8-13)11-16-19-14-3-1-2-4-15(14)20(16)10-9-17(21)22/h1-8H,9-11H2,(H,21,22)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,17,21,18,20,11,10,15,16,19,5,4,8,12,22,7,9,13,14/E:(5,6)(7,8)(21,22)/rA:22nCCCCCCNCNCCCOOCCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s9;s10;s11;d12;s12;s8;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅ClN₂O₂
All Atoms:	22
Heavy Atoms:	22
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1437
Area:	517.735
Solvation:	-2.79968
Coulombic:	-39.3284

Bond Count [?]

All:	24
Single:	16
Double:	8
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	314.766
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	3.55
LogP (Chemaxon):	2.86

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