1-methyl-3-(2-oxobutyl)benzimidazol-2-one

C12H14N2O2 — CID 62041240

IUPAC1-methyl-3-(2-oxobutyl)benzimidazol-2-one
SMILESCCC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C12H14N2O2/c1-3-9(15)8-14-11-7-5-4-6-10(11)13(2)12(14)16/h4-7H,3,8H2,1-2H3
InChIKeySGYQBTLHIGQLRR-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds3

About 1-methyl-3-(2-oxobutyl)benzimidazol-2-one

1-methyl-3-(2-oxobutyl)benzimidazol-2-one (PubChem CID 62041240) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-methyl-3-(2-oxobutyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(2-oxobutyl)benzimidazol-2-one
PubChem CID62041240
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-methyl-3-(2-oxobutyl)benzimidazol-2-one
SMILESCCC(=O)Cn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C12H14N2O2/c1-3-9(15)8-14-11-7-5-4-6-10(11)13(2)12(14)16/h4-7H,3,8H2,1-2H3
InChIKeySGYQBTLHIGQLRR-UHFFFAOYSA-N
XLogP1.32
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(2-oxobutyl)benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 664799
1-(3,3-dimethyl-2-oxobutyl)-3-methylbenzimidazol-2-one
CID 60708777
1-[2-(2-bromophenyl)-2-oxoethyl]-3-methylbenzimidazol-2-one
CID 60708838
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pentylacetamide
CID 18142151
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
N-butyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 18141597
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylacetamide
CID 18142520
N-benzyl-2-(3-methyl-2-oxobenzimidazol-1-yl)-N-phenylacetamide
CID 24603426
ethyl 3-hydroxy-4-(3-methyl-2-oxobenzimidazol-1-yl)butanoate
CID 82776970
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxobutyl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(2-oxobutyl)benzimidazol-2-one (CID 62041240) is 1-methyl-3-(2-oxobutyl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(2-oxobutyl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(2-oxobutyl)benzimidazol-2-one is CCC(=O)Cn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-(2-oxobutyl)benzimidazol-2-one?
The InChIKey is SGYQBTLHIGQLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-3-9(15)8-14-11-7-5-4-6-10(11)13(2)12(14)16/h4-7H,3,8H2,1-2H3.
What are the key properties of 1-methyl-3-(2-oxobutyl)benzimidazol-2-one?
1-methyl-3-(2-oxobutyl)benzimidazol-2-one has a molecular weight of 218.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxobutyl)benzimidazol-2-one is sourced from PubChem (CID 62041240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).