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

C23H21N3O — CID 100578851

IUPACN-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O/c1-14-4-11-20-21(12-14)26-22(25-20)17-6-8-18(9-7-17)23(27)24-19-10-5-15(2)16(3)13-19/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyVKYRXEGFXMJLTA-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.41
Rot. Bonds3

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

N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (PubChem CID 100578851) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
PubChem CID100578851
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O/c1-14-4-11-20-21(12-14)26-22(25-20)17-6-8-18(9-7-17)23(27)24-19-10-5-15(2)16(3)13-19/h4-13H,1-3H3,(H,24,27)(H,25,26)
InChIKeyVKYRXEGFXMJLTA-UHFFFAOYSA-N
XLogP5.41
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
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
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
3-bromo-4-methoxy-N-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide
CID 17360789
N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578809
methyl 4-[[4-[6-[(4-methoxycarbonylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]carbamoyl]benzoate
CID 1144077
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965611
N-[4-(6-benzamido-1H-benzimidazol-2-yl)phenyl]-2-chloro-4-methylbenzamide
CID 20695031
2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 141205717
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (CID 100578851) is N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is Cc1ccc2nc(-c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3)[nH]c2c1.
What is the InChIKey of N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The InChIKey is VKYRXEGFXMJLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-14-4-11-20-21(12-14)26-22(25-20)17-6-8-18(9-7-17)23(27)24-19-10-5-15(2)16(3)13-19/h4-13H,1-3H3,(H,24,27)(H,25,26).
What are the key properties of N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide has a molecular weight of 355.44 g/mol, XLogP of 5.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 100578851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).