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

C15H21N3O2 — CID 106137534

IUPAC3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
SMILESNc1ccc2c(c1)nc(CO)n2CC1CCCC(O)C1
InChIInChI=1S/C15H21N3O2/c16-11-4-5-14-13(7-11)17-15(9-19)18(14)8-10-2-1-3-12(20)6-10/h4-5,7,10,12,19-20H,1-3,6,8-9,16H2
InChIKeyYCRYSCIGWXJJIL-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.66
Rot. Bonds3

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

3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 106137534) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID106137534
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
SMILESNc1ccc2c(c1)nc(CO)n2CC1CCCC(O)C1
InChIInChI=1S/C15H21N3O2/c16-11-4-5-14-13(7-11)17-15(9-19)18(14)8-10-2-1-3-12(20)6-10/h4-5,7,10,12,19-20H,1-3,6,8-9,16H2
InChIKeyYCRYSCIGWXJJIL-UHFFFAOYSA-N
XLogP1.66
TPSA84.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.66
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

3-[(5-amino-2-propylbenzimidazol-1-yl)methyl]cyclohexan-1-ol
CID 106137537
3-[[5-amino-2-(1-hydroxyethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol
CID 106137531
1-[(3-hydroxycyclohexyl)methyl]-2-methylbenzimidazole-5-carboxylic acid
CID 106137169
2-ethyl-1-[(4-ethylcyclohexyl)methyl]benzimidazol-5-amine
CID 63498106
1-[5-amino-1-(cyclobutylmethyl)benzimidazol-2-yl]ethanol
CID 62595452
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylacetamide
CID 62595456
2-tert-butyl-1-(cyclopentylmethyl)benzimidazol-5-amine
CID 62506214
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-cyclopropylpropanamide
CID 79401244
[5-amino-1-(3,4-dichlorophenyl)benzimidazol-2-yl]methanol
CID 62594707
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]ethanesulfonamide
CID 55091658
2-ethyl-1-(3-ethylcyclohexyl)benzimidazol-5-amine
CID 64742442

Frequently Asked Questions

What is the IUPAC name of 3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol (CID 106137534) is 3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol is Nc1ccc2c(c1)nc(CO)n2CC1CCCC(O)C1.
What is the InChIKey of 3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is YCRYSCIGWXJJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-11-4-5-14-13(7-11)17-15(9-19)18(14)8-10-2-1-3-12(20)6-10/h4-5,7,10,12,19-20H,1-3,6,8-9,16H2.
What are the key properties of 3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol?
3-[[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 275.35 g/mol, XLogP of 1.66, 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-(hydroxymethyl)benzimidazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106137534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).