6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one

C16H23N3O — CID 117436491

IUPAC6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(C3(N)CCCCC3)ccc21
InChIInChI=1S/C16H23N3O/c1-11(2)19-14-7-6-12(10-13(14)18-15(19)20)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3,(H,18,20)
InChIKeyYHUOUQZNRZOTNF-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.03
Rot. Bonds2

About 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one

6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one (PubChem CID 117436491) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one.

Molecular Properties

Compound Name6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one
PubChem CID117436491
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one
SMILESCC(C)n1c(=O)[nH]c2cc(C3(N)CCCCC3)ccc21
InChIInChI=1S/C16H23N3O/c1-11(2)19-14-7-6-12(10-13(14)18-15(19)20)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3,(H,18,20)
InChIKeyYHUOUQZNRZOTNF-UHFFFAOYSA-N
XLogP3.03
TPSA63.81 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[1-(aminomethyl)cyclohexyl]-3-propan-2-yl-1H-benzimidazol-2-one
CID 117464116
6-(1-aminocyclopentyl)-3-methyl-1H-benzimidazol-2-one
CID 117334570
6-methyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 67560212
5-(1-aminocyclohexyl)-1,3-dimethylbenzimidazol-2-one
CID 117402567
6-(dimethylamino)-3-propan-2-yl-1H-benzimidazol-2-one
CID 90717928
6-(2-aminopropyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117338879
6-(1-hydroxypropan-2-yl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117340757
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
6-(2-hydroxyethyl)-3-propan-2-yl-1H-benzimidazol-2-one
CID 117314387
4-(2-oxo-1-propan-2-yl-3H-benzimidazol-5-yl)butanoic acid
CID 117410283
1-(1-methyl-2-oxo-3H-benzimidazol-5-yl)cyclopentane-1-carboxylic acid
CID 117404703
6-chloro-3-propan-2-yl-1H-imidazo[4,5-c]pyridin-2-one
CID 90176744

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The IUPAC name of 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one (CID 117436491) is 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one.
What is the SMILES notation for 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The canonical SMILES for 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one is CC(C)n1c(=O)[nH]c2cc(C3(N)CCCCC3)ccc21.
What is the InChIKey of 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one?
The InChIKey is YHUOUQZNRZOTNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-11(2)19-14-7-6-12(10-13(14)18-15(19)20)16(17)8-4-3-5-9-16/h6-7,10-11H,3-5,8-9,17H2,1-2H3,(H,18,20).
What are the key properties of 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one?
6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one has a molecular weight of 273.38 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclohexyl)-3-propan-2-yl-1H-benzimidazol-2-one is sourced from PubChem (CID 117436491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).