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

C13H17N3O — CID 43483595

IUPAC5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCC1
InChIInChI=1S/C13H17N3O/c1-14-12(8-3-2-4-8)9-5-6-10-11(7-9)16-13(17)15-10/h5-8,12,14H,2-4H2,1H3,(H2,15,16,17)
InChIKeyYPIHTEPLFXCMDC-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.92
Rot. Bonds3

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

5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 43483595) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID43483595
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESCNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCC1
InChIInChI=1S/C13H17N3O/c1-14-12(8-3-2-4-8)9-5-6-10-11(7-9)16-13(17)15-10/h5-8,12,14H,2-4H2,1H3,(H2,15,16,17)
InChIKeyYPIHTEPLFXCMDC-UHFFFAOYSA-N
XLogP1.92
TPSA60.68 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclopropyl(ethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43490672
5-[2-cyclopropyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 83153990
5-[ethylamino-(2-methylcyclopentyl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 107177387
5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
5-[cyclobutyl(methylamino)methyl]-1,3-dimethylbenzimidazol-2-one
CID 62299740
5-[cyclobutyl(methylamino)methyl]-1,3-dihydroindol-2-one
CID 43484843
8-[cyclobutyl(methylamino)methyl]-2,3,4,5-tetrahydro-2-benzazepin-1-one
CID 104525702
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one
CID 82500369
5-[2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydrobenzimidazol-2-one
CID 43483534
5-(1-chloroethyl)-1,3-dihydrobenzimidazol-2-one
CID 61083756

Frequently Asked Questions

What is the IUPAC name of 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 43483595) is 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is CNC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCC1.
What is the InChIKey of 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is YPIHTEPLFXCMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-14-12(8-3-2-4-8)9-5-6-10-11(7-9)16-13(17)15-10/h5-8,12,14H,2-4H2,1H3,(H2,15,16,17).
What are the key properties of 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 231.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 43483595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).