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

C13H18N2O — CID 115685391

IUPAC1-methyl-3-(3-methylbutyl)benzimidazol-2-one
SMILESCC(C)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-10(2)8-9-15-12-7-5-4-6-11(12)14(3)13(15)16/h4-7,10H,8-9H2,1-3H3
InChIKeyGPCYSAGHLFHXGY-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.39
Rot. Bonds3

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

1-methyl-3-(3-methylbutyl)benzimidazol-2-one (PubChem CID 115685391) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-methyl-3-(3-methylbutyl)benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-methylbutyl)benzimidazol-2-one
PubChem CID115685391
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC Name1-methyl-3-(3-methylbutyl)benzimidazol-2-one
SMILESCC(C)CCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C13H18N2O/c1-10(2)8-9-15-12-7-5-4-6-11(12)14(3)13(15)16/h4-7,10H,8-9H2,1-3H3
InChIKeyGPCYSAGHLFHXGY-UHFFFAOYSA-N
XLogP2.39
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
3-ethyl-1-(3-methylbutyl)quinazoline-2,4-dione
CID 17132362
1-methyl-3-(2-methylsulfonylethyl)benzimidazol-2-one
CID 115591774
1-decyl-3-methylbenzimidazol-2-one
CID 116621203
1-methyl-3-nonylbenzimidazol-2-one
CID 116621127
5-(3-methyl-2-oxobenzimidazol-1-yl)pentanenitrile
CID 115576596
N-methyl-3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(1-phenylethyl)propanamide
CID 42896336
ethane;1-methyl-3-(2-morpholin-4-ylethyl)benzimidazol-2-one
CID 143665895
1-methyl-3-(3-phenoxypropyl)benzimidazol-2-one
CID 115576428
1-[(2R)-3-carbazol-9-yl-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 39984194
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylbenzimidazol-2-one
CID 66474341
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylbutyl)benzimidazol-2-one?
The IUPAC name of 1-methyl-3-(3-methylbutyl)benzimidazol-2-one (CID 115685391) is 1-methyl-3-(3-methylbutyl)benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-(3-methylbutyl)benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-(3-methylbutyl)benzimidazol-2-one is CC(C)CCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-methyl-3-(3-methylbutyl)benzimidazol-2-one?
The InChIKey is GPCYSAGHLFHXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-10(2)8-9-15-12-7-5-4-6-11(12)14(3)13(15)16/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylbutyl)benzimidazol-2-one?
1-methyl-3-(3-methylbutyl)benzimidazol-2-one has a molecular weight of 218.30 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylbutyl)benzimidazol-2-one is sourced from PubChem (CID 115685391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).