5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one

C15H21N3O — CID 82500369

IUPAC5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESNCC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C15H21N3O/c16-9-12(10-4-2-1-3-5-10)11-6-7-13-14(8-11)18-15(19)17-13/h6-8,10,12H,1-5,9,16H2,(H2,17,18,19)
InChIKeyGPLUEKGDIWEUMN-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.48
Rot. Bonds3

About 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one

5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one (PubChem CID 82500369) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one
PubChem CID82500369
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one
SMILESNCC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1
InChIInChI=1S/C15H21N3O/c16-9-12(10-4-2-1-3-5-10)11-6-7-13-14(8-11)18-15(19)17-13/h6-8,10,12H,1-5,9,16H2,(H2,17,18,19)
InChIKeyGPLUEKGDIWEUMN-UHFFFAOYSA-N
XLogP2.48
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

5-[cyclooctyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 65023133
5-[cyclohexyl(hydroxy)methyl]-1,3-dihydrobenzimidazol-2-one
CID 61087315
2-cyclohexyl-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetic acid
CID 82502145
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
5-[cyclobutyl(methylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 43483595
6-[bromo(cyclohexyl)methyl]-1,4-dihydroquinoxaline-2,3-dione
CID 61098910
5-[amino(oxan-2-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 62213868
5-(diaminomethyl)-1,3-dihydrobenzimidazol-2-one
CID 116939209
5-[amino(azetidin-3-yl)methyl]-1,3-dihydrobenzimidazol-2-one
CID 116935370
2-cyclopentyl-2-(4-propan-2-ylphenyl)ethanamine
CID 79022519
1-cyclohexyl-3-[(1R)-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 94799266

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one (CID 82500369) is 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one is NCC(c1ccc2[nH]c(=O)[nH]c2c1)C1CCCCC1.
What is the InChIKey of 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one?
The InChIKey is GPLUEKGDIWEUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c16-9-12(10-4-2-1-3-5-10)11-6-7-13-14(8-11)18-15(19)17-13/h6-8,10,12H,1-5,9,16H2,(H2,17,18,19).
What are the key properties of 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one?
5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-cyclohexylethyl)-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 82500369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).