6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide

C21H17N3O — CID 122182183

IUPAC6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C(N)=O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H17N3O/c1-13-11-17(20(22)25)19-18(12-13)23-21(24-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,25)(H,23,24)
InChIKeyQYAZHBMAGSMOGD-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.30
Rot. Bonds3

About 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide

6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide (PubChem CID 122182183) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide
PubChem CID122182183
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide
SMILESCc1cc(C(N)=O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1
InChIInChI=1S/C21H17N3O/c1-13-11-17(20(22)25)19-18(12-13)23-21(24-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,25)(H,23,24)
InChIKeyQYAZHBMAGSMOGD-UHFFFAOYSA-N
XLogP4.30
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-2-(4-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 91318855
6-methyl-2-(4-pyridin-3-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46946985
6-methyl-2-(4-pyridin-2-ylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 46947380
2-[4-[4-[(2-cyanophenyl)methyl]phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 58073937
2-[4-[4-(2-cyclopentyl-2-oxoethyl)phenyl]phenyl]-6-methyl-1H-benzimidazole-4-carboxylic acid
CID 58073914
2-(3-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 63032812
2-[4-[(3-methylphenoxy)methyl]phenyl]-1H-benzimidazole-4-carboxamide
CID 175537952
5-fluoro-2-phenyl-1H-benzimidazole-4-carboxamide
CID 155566808
2-(4-fluorophenyl)-4,6-dimethyl-1H-benzimidazole
CID 56773179
4-(4-chloro-6-methyl-1H-benzimidazol-2-yl)aniline
CID 84636861
4,6-dimethyl-2-(4-propan-2-ylphenyl)-1H-benzimidazole
CID 56773162
6-fluoro-2-(3-fluoro-5-methylphenyl)-1H-benzimidazole-4-carboxylic acid
CID 103436169

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide?
The IUPAC name of 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide (CID 122182183) is 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide?
The canonical SMILES for 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide is Cc1cc(C(N)=O)c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide?
The InChIKey is QYAZHBMAGSMOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-13-11-17(20(22)25)19-18(12-13)23-21(24-19)16-9-7-15(8-10-16)14-5-3-2-4-6-14/h2-12H,1H3,(H2,22,25)(H,23,24).
What are the key properties of 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide?
6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-phenylphenyl)-1H-benzimidazole-4-carboxamide is sourced from PubChem (CID 122182183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).