N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide

C26H23Cl2N3O — CID 66965413

IUPACN-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C26H23Cl2N3O/c27-20-7-4-8-21(28)24(20)25-30-22-14-11-18(15-23(22)31-25)26(32)29-19-12-9-17(10-13-19)16-5-2-1-3-6-16/h4,7-16H,1-3,5-6H2,(H,29,32)(H,30,31)
InChIKeyNFVNRHLVPVKQNN-UHFFFAOYSA-N
MW464.40 g/mol
LogP7.84
Rot. Bonds4

About N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide

N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 66965413) has the molecular formula C26H23Cl2N3O and a molecular weight of 464.40 g/mol. Its IUPAC name is N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID66965413
Molecular FormulaC26H23Cl2N3O
Molecular Weight464.40 g/mol
Exact Mass463.12
IUPAC NameN-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(C2CCCCC2)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C26H23Cl2N3O/c27-20-7-4-8-21(28)24(20)25-30-22-14-11-18(15-23(22)31-25)26(32)29-19-12-9-17(10-13-19)16-5-2-1-3-6-16/h4,7-16H,1-3,5-6H2,(H,29,32)(H,30,31)
InChIKeyNFVNRHLVPVKQNN-UHFFFAOYSA-N
XLogP7.84
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.40
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 25066986
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
N-(4-chlorophenyl)-2-[4-(cyclohexanecarbonylamino)phenyl]-3H-benzimidazole-5-carboxamide
CID 20740072
2-(2,6-dichlorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 87217495
2-[4-(cyclohexanecarbonylamino)phenyl]-N-phenyl-3H-benzimidazole-5-carboxamide
CID 11407983
2-(2,6-dichlorophenyl)-N-(2-fluorophenyl)-3H-benzimidazole-5-carboxamide
CID 66965567
ethyl (E)-3-[4-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]phenyl]prop-2-enoate
CID 66965564
2-(2,6-dichlorophenyl)-N-quinolin-2-yl-3H-benzimidazole-5-carboxamide
CID 66965626
2-(4-benzamidophenyl)-N-cyclohexyl-3H-benzimidazole-5-carboxamide
CID 10274855
2-(2,6-dichlorophenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]-3H-benzimidazole-5-carboxamide
CID 25064923
2-(2,6-dichlorophenyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 66965647
1-[2-(2,6-dichlorophenyl)-3H-benzimidazol-5-yl]ethanone
CID 143659491

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide (CID 66965413) is N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(C2CCCCC2)cc1)c1ccc2nc(-c3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is NFVNRHLVPVKQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23Cl2N3O/c27-20-7-4-8-21(28)24(20)25-30-22-14-11-18(15-23(22)31-25)26(32)29-19-12-9-17(10-13-19)16-5-2-1-3-6-16/h4,7-16H,1-3,5-6H2,(H,29,32)(H,30,31).
What are the key properties of N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide?
N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 464.40 g/mol, XLogP of 7.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclohexylphenyl)-2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).