N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide

C17H17N3O3 — CID 110792971

IUPACN-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc[nH]c3c2)c(OC)c1C
InChIInChI=1S/C17H17N3O3/c1-10-15(22-2)7-6-13(16(10)23-3)20-17(21)11-4-5-12-14(8-11)19-9-18-12/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyMBGBZFIWAFXOEF-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.14
Rot. Bonds4

About N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide

N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 110792971) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide
PubChem CID110792971
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC NameN-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc3nc[nH]c3c2)c(OC)c1C
InChIInChI=1S/C17H17N3O3/c1-10-15(22-2)7-6-13(16(10)23-3)20-17(21)11-4-5-12-14(8-11)19-9-18-12/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyMBGBZFIWAFXOEF-UHFFFAOYSA-N
XLogP3.14
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,4-dimethoxy-3-methylphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 110795781
3-acetamido-N-(2,4-dimethoxy-3-methylphenyl)benzamide
CID 110792976
4-(3H-benzimidazole-5-carbonylamino)-3-methylbenzoic acid
CID 24702726
N-(2,4-dimethoxy-3-methylphenyl)pyridine-3-carboxamide
CID 110777868
N-[2-(3,4,5-trimethoxyphenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 146025489
N-[(3-acetamido-4-methoxyphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110794398
N-(5-fluoro-2-methylphenyl)-3H-benzimidazole-5-carboxamide
CID 43397751
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-[2-[(5-chloro-2-methoxybenzoyl)amino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108540850
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
N-[(4-methoxy-2,5-dimethylphenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 110793668

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide (CID 110792971) is N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide is COc1ccc(NC(=O)c2ccc3nc[nH]c3c2)c(OC)c1C.
What is the InChIKey of N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is MBGBZFIWAFXOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-15(22-2)7-6-13(16(10)23-3)20-17(21)11-4-5-12-14(8-11)19-9-18-12/h4-9H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide?
N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 311.34 g/mol, XLogP of 3.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxy-3-methylphenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110792971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).