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

C16H23N3O2 — CID 106137531

IUPAC3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
SMILESCC(O)c1nc2cc(N)ccc2n1CC1CCCC(O)C1
InChIInChI=1S/C16H23N3O2/c1-10(20)16-18-14-8-12(17)5-6-15(14)19(16)9-11-3-2-4-13(21)7-11/h5-6,8,10-11,13,20-21H,2-4,7,9,17H2,1H3
InChIKeyLFZUHBGKVCIEAR-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.22
Rot. Bonds3

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

3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 106137531) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID106137531
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
SMILESCC(O)c1nc2cc(N)ccc2n1CC1CCCC(O)C1
InChIInChI=1S/C16H23N3O2/c1-10(20)16-18-14-8-12(17)5-6-15(14)19(16)9-11-3-2-4-13(21)7-11/h5-6,8,10-11,13,20-21H,2-4,7,9,17H2,1H3
InChIKeyLFZUHBGKVCIEAR-UHFFFAOYSA-N
XLogP2.22
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137534
3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
CID 106137537
1-(oxan-3-ylmethyl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507903
1-(5-amino-1-cyclopentylbenzimidazol-2-yl)ethanol
CID 62589071
1-[5-amino-1-(1-methylpiperidin-3-yl)benzimidazol-2-yl]ethanol
CID 62594160
1-[(3-hydroxycyclohexyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106137169
1-[5-amino-1-[2-(2-hydroxyethoxy)ethyl]benzimidazol-2-yl]ethanol
CID 55091268
4-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]butanamide
CID 55091707
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
methyl 3-[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]propanoate
CID 55091800
1-[5-amino-1-[4-(dimethylamino)butyl]benzimidazol-2-yl]ethanol
CID 62595828

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol (CID 106137531) is 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol is CC(O)c1nc2cc(N)ccc2n1CC1CCCC(O)C1.
What is the InChIKey of 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is LFZUHBGKVCIEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-10(20)16-18-14-8-12(17)5-6-15(14)19(16)9-11-3-2-4-13(21)7-11/h5-6,8,10-11,13,20-21H,2-4,7,9,17H2,1H3.
What are the key properties of 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol?
3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 289.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106137531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).