3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide

C17H19N3O2S — CID 138992320

IUPAC3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCc1ccc(CC(C)NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)s1
InChIInChI=1S/C17H19N3O2S/c1-10(8-13-6-4-11(2)23-13)18-16(21)12-5-7-14-15(9-12)20(3)17(22)19-14/h4-7,9-10H,8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySCTFHLIXHRCUCW-UHFFFAOYSA-N
MW329.43 g/mol
LogP2.60
Rot. Bonds4

About 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide

3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide (PubChem CID 138992320) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
PubChem CID138992320
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC Name3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide
SMILESCc1ccc(CC(C)NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)s1
InChIInChI=1S/C17H19N3O2S/c1-10(8-13-6-4-11(2)23-13)18-16(21)12-5-7-14-15(9-12)20(3)17(22)19-14/h4-7,9-10H,8H2,1-3H3,(H,18,21)(H,19,22)
InChIKeySCTFHLIXHRCUCW-UHFFFAOYSA-N
XLogP2.60
TPSA66.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide?
The IUPAC name of 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide (CID 138992320) is 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide.
What is the SMILES notation for 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide?
The canonical SMILES for 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide is Cc1ccc(CC(C)NC(=O)c2ccc3[nH]c(=O)n(C)c3c2)s1.
What is the InChIKey of 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide?
The InChIKey is SCTFHLIXHRCUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-10(8-13-6-4-11(2)23-13)18-16(21)12-5-7-14-15(9-12)20(3)17(22)19-14/h4-7,9-10H,8H2,1-3H3,(H,18,21)(H,19,22).
What are the key properties of 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide?
3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide has a molecular weight of 329.43 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]-2-oxo-1H-benzimidazole-5-carboxamide is sourced from PubChem (CID 138992320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).