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

C23H21N3O — CID 100578809

IUPACN-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O/c1-14-7-12-20-21(13-14)25-22(24-20)17-8-10-18(11-9-17)23(27)26-19-6-4-5-15(2)16(19)3/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyJOQYBAIWQVOTQN-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.41
Rot. Bonds3

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

N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (PubChem CID 100578809) has the molecular formula C23H21N3O and a molecular weight of 355.44 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
PubChem CID100578809
Molecular FormulaC23H21N3O
Molecular Weight355.44 g/mol
Exact Mass355.17
IUPAC NameN-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
SMILESCc1ccc2nc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)[nH]c2c1
InChIInChI=1S/C23H21N3O/c1-14-7-12-20-21(13-14)25-22(24-20)17-8-10-18(11-9-17)23(27)26-19-6-4-5-15(2)16(19)3/h4-13H,1-3H3,(H,24,25)(H,26,27)
InChIKeyJOQYBAIWQVOTQN-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

N-(3,5-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578861
N-(3,4-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578851
N-(4-bromophenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578973
N-tert-butyl-4-(6-methyl-1H-benzimidazol-2-yl)benzamide
CID 100578594
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23915586
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate
CID 23915587
4-(1H-benzimidazol-2-yl)-N-(2,6-dimethylphenyl)benzamide
CID 100577552
ethane;3-methyl-N-[4-[6-[(3-methylbenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 142812938
6-methyl-2-[4-(6-methyl-1H-benzimidazol-2-yl)phenyl]-1H-benzimidazole
CID 20689909
4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100580067
[1-(2-methylanilino)-1-oxopropan-2-yl] 2-(4-methylphenyl)-3H-benzimidazole-5-carboxylate
CID 23999680
2-fluoro-N-[2-methyl-5-(6-methyl-1H-benzimidazol-2-yl)phenyl]benzamide;hydrochloride
CID 146052843

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The IUPAC name of N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide (CID 100578809) is N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is Cc1ccc2nc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)[nH]c2c1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
The InChIKey is JOQYBAIWQVOTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O/c1-14-7-12-20-21(13-14)25-22(24-20)17-8-10-18(11-9-17)23(27)26-19-6-4-5-15(2)16(19)3/h4-13H,1-3H3,(H,24,25)(H,26,27).
What are the key properties of N-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide?
N-(2,3-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-(2,3-dimethylphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)benzamide is sourced from PubChem (CID 100578809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).