3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol

C17H25N3O — CID 106137537

IUPAC3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
SMILESCCCc1nc2cc(N)ccc2n1CC1CCCC(O)C1
InChIInChI=1S/C17H25N3O/c1-2-4-17-19-15-10-13(18)7-8-16(15)20(17)11-12-5-3-6-14(21)9-12/h7-8,10,12,14,21H,2-6,9,11,18H2,1H3
InChIKeyNQPFCWUWWNQWJC-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.12
Rot. Bonds4

About 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol

3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol (PubChem CID 106137537) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
PubChem CID106137537
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
SMILESCCCc1nc2cc(N)ccc2n1CC1CCCC(O)C1
InChIInChI=1S/C17H25N3O/c1-2-4-17-19-15-10-13(18)7-8-16(15)20(17)11-12-5-3-6-14(21)9-12/h7-8,10,12,14,21H,2-6,9,11,18H2,1H3
InChIKeyNQPFCWUWWNQWJC-UHFFFAOYSA-N
XLogP3.12
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.12
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

3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137534
3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137531
1-[(1-ethylpyrrolidin-3-yl)methyl]-2-propylbenzimidazol-5-amine
CID 62508197
1-[(2-methylcyclohexyl)methyl]-2-propylbenzimidazol-5-amine
CID 63496687
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
1-cycloheptyl-2-propylbenzimidazol-5-amine
CID 62507199
1-cyclohexyl-2-propylbenzimidazol-5-amine
CID 62507665
1-cyclooctyl-2-propylbenzimidazol-5-amine
CID 63497748
1-[(3-hydroxycyclohexyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106137169
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
3-(5-amino-2-propylbenzimidazol-1-yl)-2,2-dimethylpropan-1-ol
CID 115363216
1-(3-methylcyclopentyl)-2-propylbenzimidazol-5-amine
CID 114541143

Frequently Asked Questions

What is the IUPAC name of 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol (CID 106137537) is 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol is CCCc1nc2cc(N)ccc2n1CC1CCCC(O)C1.
What is the InChIKey of 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol?
The InChIKey is NQPFCWUWWNQWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-2-4-17-19-15-10-13(18)7-8-16(15)20(17)11-12-5-3-6-14(21)9-12/h7-8,10,12,14,21H,2-6,9,11,18H2,1H3.
What are the key properties of 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol?
3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol has a molecular weight of 287.41 g/mol, XLogP of 3.12, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 106137537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).