4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

Name: 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₂H₁₅N₃O₂ — CID 154311145

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

SMILESCc1cccc2c1n(C(C)C)c(=O)n2C(N)=O

InChIInChI=1S/C12H15N3O2/c1-7(2)14-10-8(3)5-4-6-9(10)15(11(13)16)12(14)17/h4-7H,1-3H3,(H2,13,16)

InChIKeyMGIBUPSJOCZNHF-UHFFFAOYSA-N

MW233.27 g/mol

LogP1.62

Rot. Bonds1

About 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide

4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (PubChem CID 154311145) has the molecular formula C₁₂H₁₅N₃O₂ and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.

Molecular Properties

Compound Name	4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
PubChem CID	154311145
Molecular Formula	C₁₂H₁₅N₃O₂
Molecular Weight	233.27 g/mol
Exact Mass	233.12
IUPAC Name	4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
SMILES	Cc1cccc2c1n(C(C)C)c(=O)n2C(N)=O
InChI	InChI=1S/C12H15N3O2/c1-7(2)14-10-8(3)5-4-6-9(10)15(11(13)16)12(14)17/h4-7H,1-3H3,(H2,13,16)
InChIKey	MGIBUPSJOCZNHF-UHFFFAOYSA-N
XLogP	1.62
TPSA	70.02 Å²
H-Bond Donors	1
H-Bond Acceptors	4
Rotatable Bonds	1
Heavy Atoms	17
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	233.27
LogP ≤ 5	1.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?

The IUPAC name of 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide (CID 154311145) is 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide.

What is the SMILES notation for 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?

The canonical SMILES for 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is Cc1cccc2c1n(C(C)C)c(=O)n2C(N)=O.

What is the InChIKey of 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?

The InChIKey is MGIBUPSJOCZNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7(2)14-10-8(3)5-4-6-9(10)15(11(13)16)12(14)17/h4-7H,1-3H3,(H2,13,16).

What are the key properties of 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide?

4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide is sourced from PubChem (CID 154311145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 154311145 — identifiers, structure, computed properties (public domain)

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