1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one

C13H16N2O — CID 115761324

IUPAC1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC2CCC2)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-14-11-7-2-3-8-12(11)15(13(14)16)9-10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyVKJIVENLGSQENY-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.14
Rot. Bonds2

About 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one

1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one (PubChem CID 115761324) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
PubChem CID115761324
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one
SMILESCn1c(=O)n(CC2CCC2)c2ccccc21
InChIInChI=1S/C13H16N2O/c1-14-11-7-2-3-8-12(11)15(13(14)16)9-10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3
InChIKeyVKJIVENLGSQENY-UHFFFAOYSA-N
XLogP2.14
TPSA26.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-aminocyclohexyl)methyl]-3-methylbenzimidazol-2-one
CID 67339990
3-(cyclopropylmethyl)-1-methylquinazoline-2,4-dione
CID 90714195
9-(cyclobutylmethyl)carbazole
CID 130274210
3-(cyclobutylmethyl)-N-cyclohexyl-2-oxobenzimidazole-1-carboxamide
CID 143642064
5-cyclobutyl-2-methyl-N-[4-[(3-methyl-2-oxobenzimidazol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 123680725
1-methyl-3-(2-oxobutyl)benzimidazol-2-one
CID 62041240
5-anilino-1-(cyclohexylmethyl)-3-methylimidazo[4,5-b]pyridin-2-one
CID 71214483
1-[2-(1,3-dioxan-2-yl)ethyl]-3-methylbenzimidazol-2-one
CID 66474341
1-(2,2-difluoroethyl)-3-methylbenzimidazol-2-one
CID 115978272
1-methyl-3-(3-methylbutyl)benzimidazol-2-one
CID 115685391
N,N-dimethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 664799
1-[(5-chloro-1,2,3-trimethylindol-7-yl)methyl]-3-(cyclohexylmethyl)benzimidazol-2-one
CID 67359164

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one?
The IUPAC name of 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one (CID 115761324) is 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one is Cn1c(=O)n(CC2CCC2)c2ccccc21.
What is the InChIKey of 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one?
The InChIKey is VKJIVENLGSQENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-14-11-7-2-3-8-12(11)15(13(14)16)9-10-5-4-6-10/h2-3,7-8,10H,4-6,9H2,1H3.
What are the key properties of 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one?
1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one has a molecular weight of 216.28 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-3-methylbenzimidazol-2-one is sourced from PubChem (CID 115761324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).