N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide

C16H15N3O — CID 732182

IUPACN-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C16H15N3O/c1-10-5-11(2)7-13(6-10)19-16(20)12-3-4-14-15(8-12)18-9-17-14/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyZPWQSONAWBUFKS-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.43
Rot. Bonds2

About N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide

N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 732182) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID732182
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC NameN-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCc1cc(C)cc(NC(=O)c2ccc3nc[nH]c3c2)c1
InChIInChI=1S/C16H15N3O/c1-10-5-11(2)7-13(6-10)19-16(20)12-3-4-14-15(8-12)18-9-17-14/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKeyZPWQSONAWBUFKS-UHFFFAOYSA-N
XLogP3.43
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide (CID 732182) is N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide is Cc1cc(C)cc(NC(=O)c2ccc3nc[nH]c3c2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is ZPWQSONAWBUFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-10-5-11(2)7-13(6-10)19-16(20)12-3-4-14-15(8-12)18-9-17-14/h3-9H,1-2H3,(H,17,18)(H,19,20).
What are the key properties of N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide?
N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 265.32 g/mol, XLogP of 3.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 732182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).