5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one

C15H21N3O — CID 62299740

IUPAC5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCNC(c1ccc2c(c1)n(C)c(=O)n2C)C1CCC1
InChIInChI=1S/C15H21N3O/c1-16-14(10-5-4-6-10)11-7-8-12-13(9-11)18(3)15(19)17(12)2/h7-10,14,16H,4-6H2,1-3H3
InChIKeyLEDIBHMJTDMEQQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.94
Rot. Bonds3

About 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one

5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one (PubChem CID 62299740) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
PubChem CID62299740
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
SMILESCNC(c1ccc2c(c1)n(C)c(=O)n2C)C1CCC1
InChIInChI=1S/C15H21N3O/c1-16-14(10-5-4-6-10)11-7-8-12-13(9-11)18(3)15(19)17(12)2/h7-10,14,16H,4-6H2,1-3H3
InChIKeyLEDIBHMJTDMEQQ-UHFFFAOYSA-N
XLogP1.94
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
1,3-dimethyl-5-propan-2-ylbenzimidazol-2-one
CID 59333227
5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299746
3-cyclopropyl-3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)propanoic acid
CID 82124113
5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299908
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
1-cyclobutyl-1-(4-iodophenyl)-N-methylmethanamine
CID 105049443
4-[cyclobutyl(methylamino)methyl]-N-methylaniline
CID 116952141
1-cycloheptyl-1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482256
3-methyl-5-[methylamino(pyrrolidin-3-yl)methyl]-1,3-benzoxazol-2-one
CID 116951093
5-[chloro(phenyl)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62300779
8-[cyclobutyl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525702

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one (CID 62299740) is 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one is CNC(c1ccc2c(c1)n(C)c(=O)n2C)C1CCC1.
What is the InChIKey of 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
The InChIKey is LEDIBHMJTDMEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-16-14(10-5-4-6-10)11-7-8-12-13(9-11)18(3)15(19)17(12)2/h7-10,14,16H,4-6H2,1-3H3.
What are the key properties of 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one?
5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62299740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).