[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol

C17H25N3O — CID 106364825

IUPAC[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol
SMILESCC(C)c1nc2cc(N)ccc2n1C1CCCCC1CO
InChIInChI=1S/C17H25N3O/c1-11(2)17-19-14-9-13(18)7-8-16(14)20(17)15-6-4-3-5-12(15)10-21/h7-9,11-12,15,21H,3-6,10,18H2,1-2H3
InChIKeyJNGXYBKFGUYPLZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.47
Rot. Bonds3

About [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol

[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol (PubChem CID 106364825) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol.

Molecular Properties

Compound Name[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol
PubChem CID106364825
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol
SMILESCC(C)c1nc2cc(N)ccc2n1C1CCCCC1CO
InChIInChI=1S/C17H25N3O/c1-11(2)17-19-14-9-13(18)7-8-16(14)20(17)15-6-4-3-5-12(15)10-21/h7-9,11-12,15,21H,3-6,10,18H2,1-2H3
InChIKeyJNGXYBKFGUYPLZ-UHFFFAOYSA-N
XLogP3.47
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(2-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497929
1-(2-methoxycyclopentyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62506076
1-(4-ethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 63497047
1-(2,2-dimethylcyclohexyl)-2-propan-2-ylbenzimidazol-5-amine
CID 79870182
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-(1-ethylpiperidin-3-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507406
2-(5-amino-2-methylbenzimidazol-1-yl)cyclohexan-1-ol
CID 62506404
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
CID 63545226
1-[2-[cyclopropyl(methyl)amino]ethyl]-2-propan-2-ylbenzimidazol-5-amine
CID 62980500
2-propan-2-yl-1-propylbenzimidazol-5-amine
CID 43830820
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
CID 62594160

Frequently Asked Questions

What is the IUPAC name of [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol?
The IUPAC name of [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol (CID 106364825) is [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol.
What is the SMILES notation for [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol?
The canonical SMILES for [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol is CC(C)c1nc2cc(N)ccc2n1C1CCCCC1CO.
What is the InChIKey of [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol?
The InChIKey is JNGXYBKFGUYPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-11(2)17-19-14-9-13(18)7-8-16(14)20(17)15-6-4-3-5-12(15)10-21/h7-9,11-12,15,21H,3-6,10,18H2,1-2H3.
What are the key properties of [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol?
[2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol has a molecular weight of 287.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-amino-2-propan-2-ylbenzimidazol-1-yl)cyclohexyl]methanol is sourced from PubChem (CID 106364825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).