N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide

C17H17N3O — CID 110469182

IUPACN-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3ncn(C)c3c2)c1
InChIInChI=1S/C17H17N3O/c1-11-6-12(2)8-14(7-11)19-17(21)13-4-5-15-16(9-13)20(3)10-18-15/h4-10H,1-3H3,(H,19,21)
InChIKeySQVQFNXQUBVTRN-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.44
Rot. Bonds2

About N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide

N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide (PubChem CID 110469182) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
PubChem CID110469182
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3ncn(C)c3c2)c1
InChIInChI=1S/C17H17N3O/c1-11-6-12(2)8-14(7-11)19-17(21)13-4-5-15-16(9-13)20(3)10-18-15/h4-10H,1-3H3,(H,19,21)
InChIKeySQVQFNXQUBVTRN-UHFFFAOYSA-N
XLogP3.44
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
3-methyl-N-(1H-1,2,4-triazol-5-yl)benzimidazole-5-carboxamide
CID 110469115
N-(3,5-dichlorophenyl)-1-methylbenzimidazole-5-carboxamide
CID 100775867
N-cyclopropyl-3-methylbenzimidazole-5-carboxamide
CID 110469101
3-fluoro-4-imidazol-1-yl-N-(3-methylbenzimidazol-5-yl)benzamide
CID 166387467
3-methylbenzimidazole-5-carboxamide
CID 21105052
N-(3,5-dimethylphenyl)-2H-benzotriazole-5-carboxamide
CID 17477354
N-(1-methylbenzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779100
3-methyl-N-(pyridin-2-ylmethyl)benzimidazole-5-carboxamide
CID 110469148
N-[2-(2-hydroxyethoxy)ethyl]-3-methylbenzimidazole-5-carboxamide
CID 110469142
N-(3,5-dimethylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 62167632
N-(3,5-dimethylphenyl)-4-pyridin-2-ylbenzamide
CID 143032339

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide (CID 110469182) is N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc3ncn(C)c3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide?
The InChIKey is SQVQFNXQUBVTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-11-6-12(2)8-14(7-11)19-17(21)13-4-5-15-16(9-13)20(3)10-18-15/h4-10H,1-3H3,(H,19,21).
What are the key properties of N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide?
N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-methylbenzimidazole-5-carboxamide is sourced from PubChem (CID 110469182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).