N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide

C18H19N3O2 — CID 3232145

IUPACN-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C(C)C)cc1
InChIInChI=1S/C18H19N3O2/c1-11(2)21-16-9-6-13(10-15(16)20-18(21)23)17(22)19-14-7-4-12(3)5-8-14/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyMQBCWJDXFHTCHS-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.47
Rot. Bonds3

About N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide

N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide (PubChem CID 3232145) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide
PubChem CID3232145
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide
SMILESCc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C(C)C)cc1
InChIInChI=1S/C18H19N3O2/c1-11(2)21-16-9-6-13(10-15(16)20-18(21)23)17(22)19-14-7-4-12(3)5-8-14/h4-11H,1-3H3,(H,19,22)(H,20,23)
InChIKeyMQBCWJDXFHTCHS-UHFFFAOYSA-N
XLogP3.47
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide (CID 3232145) is N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide is Cc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=O)n3C(C)C)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
The InChIKey is MQBCWJDXFHTCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-11(2)21-16-9-6-13(10-15(16)20-18(21)23)17(22)19-14-7-4-12(3)5-8-14/h4-11H,1-3H3,(H,19,22)(H,20,23).
What are the key properties of N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide?
N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-oxo-1-propan-2-yl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 3232145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).