2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid

C17H10Cl2N4O3 — CID 67627824

IUPAC2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid
SMILESN#Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)O
InChIInChI=1S/C17H10Cl2N4O3/c18-9-3-1-4-10(19)15(9)17(26)21-11-5-2-6-12-16(11)22-13(7-20)23(12)8-14(24)25/h1-6H,8H2,(H,21,26)(H,24,25)
InChIKeyJCAHSRBLBWITCW-UHFFFAOYSA-N
MW389.20 g/mol
LogP3.55
Rot. Bonds4

About 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid

2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid (PubChem CID 67627824) has the molecular formula C17H10Cl2N4O3 and a molecular weight of 389.20 g/mol. Its IUPAC name is 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid
PubChem CID67627824
Molecular FormulaC17H10Cl2N4O3
Molecular Weight389.20 g/mol
Exact Mass388.01
IUPAC Name2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid
SMILESN#Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)O
InChIInChI=1S/C17H10Cl2N4O3/c18-9-3-1-4-10(19)15(9)17(26)21-11-5-2-6-12-16(11)22-13(7-20)23(12)8-14(24)25/h1-6H,8H2,(H,21,26)(H,24,25)
InChIKeyJCAHSRBLBWITCW-UHFFFAOYSA-N
XLogP3.55
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.20
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[2-cyano-1-[2-oxo-2-[[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]benzimidazol-4-yl]benzamide
CID 139815633
4-[(2,6-dichlorobenzoyl)amino]-1-(2-oxopropyl)benzimidazole-2-carboxamide
CID 67651985
2,6-dichloro-N-[1-(2-hydroxyethyl)-2-methylbenzimidazol-4-yl]benzamide;hydrochloride
CID 67637912
2,6-dichloro-N-(2-ethyl-1-phenacylbenzimidazol-4-yl)benzamide
CID 67636495
2,6-dichloro-N-[2-methyl-1-[2-oxo-2-(pyridin-4-ylamino)ethyl]benzimidazol-4-yl]benzamide
CID 54430863
2,6-dichloro-N-[1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-2-oxoethyl]-2-(trifluoromethyl)benzimidazol-4-yl]benzamide
CID 139815618
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
2,6-dichloro-N-(3,4-dichloroquinolin-8-yl)benzamide
CID 139782538
3-(2-amino-4-chlorobenzimidazol-1-yl)propanoic acid
CID 84736899
2,6-dichloro-N-[3-(hydroxymethyl)-2-methylimidazo[1,2-a]pyridin-8-yl]benzamide
CID 54237289
2,6-dichloro-N-[2-(methylaminomethyl)phenyl]benzamide
CID 43601063
2,6-dichloro-N-(5-cyano-2-methylphenyl)benzamide
CID 62105070

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid?
The IUPAC name of 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid (CID 67627824) is 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid?
The canonical SMILES for 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid is N#Cc1nc2c(NC(=O)c3c(Cl)cccc3Cl)cccc2n1CC(=O)O.
What is the InChIKey of 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid?
The InChIKey is JCAHSRBLBWITCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O3/c18-9-3-1-4-10(19)15(9)17(26)21-11-5-2-6-12-16(11)22-13(7-20)23(12)8-14(24)25/h1-6H,8H2,(H,21,26)(H,24,25).
What are the key properties of 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid?
2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid has a molecular weight of 389.20 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyano-4-[(2,6-dichlorobenzoyl)amino]benzimidazol-1-yl]acetic acid is sourced from PubChem (CID 67627824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).