2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide

C25H25N3O — CID 66965608

IUPAC2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(-c4c(C)cccc4C)n(C)c3c2)cc1C
InChIInChI=1S/C25H25N3O/c1-15-9-11-20(13-18(15)4)26-25(29)19-10-12-21-22(14-19)28(5)24(27-21)23-16(2)7-6-8-17(23)3/h6-14H,1-5H3,(H,26,29)
InChIKeyZJPDNKNVVHLSLE-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.73
Rot. Bonds3

About 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide

2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide (PubChem CID 66965608) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
PubChem CID66965608
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3nc(-c4c(C)cccc4C)n(C)c3c2)cc1C
InChIInChI=1S/C25H25N3O/c1-15-9-11-20(13-18(15)4)26-25(29)19-10-12-21-22(14-19)28(5)24(27-21)23-16(2)7-6-8-17(23)3/h6-14H,1-5H3,(H,26,29)
InChIKeyZJPDNKNVVHLSLE-UHFFFAOYSA-N
XLogP5.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dimethylphenyl)-1-methylindazole-6-carboxamide
CID 110475629
3-N-tert-butyl-1-N-(3,4-dimethylphenyl)benzene-1,3-dicarboxamide
CID 109055998
2-amino-N-(3,4-dimethylphenyl)-1,3-benzothiazole-6-carboxamide
CID 60636051
2-(4-amino-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 141205717
4-N-(3,4-dimethylphenyl)-1-N-(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049648
3,4-dichloro-N-(3,4-dimethylphenyl)benzamide
CID 677956
2-(4-acetamido-2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3H-benzimidazole-5-carboxamide
CID 66965611
N-(4-bromophenyl)-2-(2,6-dimethylanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562326
N-(3,4-dimethylphenyl)-3-(pyrimidin-2-ylamino)benzamide
CID 35374224
N-(3,4-dimethylphenyl)-4-(3-phenylquinoxalin-2-yl)benzamide
CID 23829183
N-[2-(5-fluoro-2-pyridinyl)-3-methylbenzimidazol-5-yl]benzamide
CID 169245076
3-amino-N-(3,4-dimethylphenyl)-4-hydroxybenzamide
CID 66965766

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide (CID 66965608) is 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3nc(-c4c(C)cccc4C)n(C)c3c2)cc1C.
What is the InChIKey of 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide?
The InChIKey is ZJPDNKNVVHLSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-15-9-11-20(13-18(15)4)26-25(29)19-10-12-21-22(14-19)28(5)24(27-21)23-16(2)7-6-8-17(23)3/h6-14H,1-5H3,(H,26,29).
What are the key properties of 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide?
2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 5.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylphenyl)-N-(3,4-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 66965608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).