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

C12H15N3O2 — CID 154311145

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 Name4-methyl-2-oxo-3-propan-2-ylbenzimidazole-1-carboxamide
PubChem CID154311145
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-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
XLogP1.62
TPSA70.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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).