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

C17H25N3O — CID 62299908

IUPAC5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(N)CC3CCCCC3)ccc21
InChIInChI=1S/C17H25N3O/c1-19-15-9-8-13(11-16(15)20(2)17(19)21)14(18)10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,18H2,1-2H3
InChIKeyIDINWECRHTYFRI-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.85
Rot. Bonds3

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

5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one (PubChem CID 62299908) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one.

Molecular Properties

Compound Name5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
PubChem CID62299908
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one
SMILESCn1c(=O)n(C)c2cc(C(N)CC3CCCCC3)ccc21
InChIInChI=1S/C17H25N3O/c1-19-15-9-8-13(11-16(15)20(2)17(19)21)14(18)10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,18H2,1-2H3
InChIKeyIDINWECRHTYFRI-UHFFFAOYSA-N
XLogP2.85
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropyl-1-hydroxyethyl)-1,3-dimethylbenzimidazol-2-one
CID 62299746
6-(1-amino-2-cyclohexylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63105199
5-(1-bromo-3-cyclopentylpropyl)-1,3-dimethylbenzimidazol-2-one
CID 63444229
6-(1-amino-2-cyclopentylethyl)-1-methyl-3,4-dihydroquinolin-2-one
CID 63104828
5-(1-amino-2-cyclohexylethyl)-1-methyl-3H-indol-2-one
CID 43119558
2-cyclohexyl-1-(3,4-diethylphenyl)ethanamine
CID 115482007
5-(1-aminohexyl)-1,3-dimethylbenzimidazol-2-one
CID 62300256
1-(4-tert-butylphenyl)-2-cycloheptylethanamine
CID 114457473
2-cycloheptyl-1-(4-propan-2-ylphenyl)ethanamine
CID 114457625
5-(1-amino-2-cyclopropylethyl)-6-bromo-1,3-dimethylbenzimidazol-2-one
CID 62351685
6-(1-amino-2-cyclopentylethyl)-3,4-dihydro-1H-quinolin-2-one
CID 43826244
6-(1-amino-3-cyclohexylpropyl)-3-methyl-1,3-benzoxazol-2-one
CID 62273475

Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one?
The IUPAC name of 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one (CID 62299908) is 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one.
What is the SMILES notation for 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one?
The canonical SMILES for 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one is Cn1c(=O)n(C)c2cc(C(N)CC3CCCCC3)ccc21.
What is the InChIKey of 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one?
The InChIKey is IDINWECRHTYFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-19-15-9-8-13(11-16(15)20(2)17(19)21)14(18)10-12-6-4-3-5-7-12/h8-9,11-12,14H,3-7,10,18H2,1-2H3.
What are the key properties of 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one?
5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one has a molecular weight of 287.41 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2-cyclohexylethyl)-1,3-dimethylbenzimidazol-2-one is sourced from PubChem (CID 62299908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).