4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide

C22H18ClN3O — CID 100579998

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1C
InChIInChI=1S/C22H18ClN3O/c1-13-3-9-18(11-14(13)2)24-22(27)16-6-4-15(5-7-16)21-25-19-10-8-17(23)12-20(19)26-21/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKeyZMQJEOVRWFEUCM-UHFFFAOYSA-N
MW375.86 g/mol
LogP5.75
Rot. Bonds3

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide (PubChem CID 100579998) has the molecular formula C22H18ClN3O and a molecular weight of 375.86 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
PubChem CID100579998
Molecular FormulaC22H18ClN3O
Molecular Weight375.86 g/mol
Exact Mass375.11
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1C
InChIInChI=1S/C22H18ClN3O/c1-13-3-9-18(11-14(13)2)24-22(27)16-6-4-15(5-7-16)21-25-19-10-8-17(23)12-20(19)26-21/h3-12H,1-2H3,(H,24,27)(H,25,26)
InChIKeyZMQJEOVRWFEUCM-UHFFFAOYSA-N
XLogP5.75
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.86
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
N-[2-(4-benzamidophenyl)-3H-benzimidazol-5-yl]-3,5-dichlorobenzamide
CID 20694943
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965611
4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100580067
2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 141205717
N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide (CID 100579998) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3nc4ccc(Cl)cc4[nH]3)cc2)cc1C.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide?
The InChIKey is ZMQJEOVRWFEUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O/c1-13-3-9-18(11-14(13)2)24-22(27)16-6-4-15(5-7-16)21-25-19-10-8-17(23)12-20(19)26-21/h3-12H,1-2H3,(H,24,27)(H,25,26).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide has a molecular weight of 375.86 g/mol, XLogP of 5.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide is sourced from PubChem (CID 100579998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).