3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol

C13H19N3O3 — CID 106162666

IUPAC3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol
SMILESCOCC(CCO)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O3/c1-19-8-10(4-5-17)16-12-3-2-9(14)6-11(12)15-13(16)7-18/h2-3,6,10,17-18H,4-5,7-8,14H2,1H3
InChIKeyLGOGSSMNKYOOFQ-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.68
Rot. Bonds6

About 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol

3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol (PubChem CID 106162666) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol
PubChem CID106162666
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol
SMILESCOCC(CCO)n1c(CO)nc2cc(N)ccc21
InChIInChI=1S/C13H19N3O3/c1-19-8-10(4-5-17)16-12-3-2-9(14)6-11(12)15-13(16)7-18/h2-3,6,10,17-18H,4-5,7-8,14H2,1H3
InChIKeyLGOGSSMNKYOOFQ-UHFFFAOYSA-N
XLogP0.68
TPSA93.53 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-3-methoxypropan-1-ol
CID 114155636
(5-amino-1-pentan-2-ylbenzimidazol-2-yl)methanol
CID 62594152
2-ethyl-1-(4-hydroxy-1-methoxybutan-2-yl)benzimidazole-5-carboxylic acid
CID 106162400
[5-amino-1-(1-phenylpropan-2-yl)benzimidazol-2-yl]methanol
CID 63011474
[5-amino-1-(2-methylpropyl)benzimidazol-2-yl]methanol
CID 62591105
1-(1-methoxypropan-2-yl)-2-propan-2-ylbenzimidazol-5-amine
CID 62507197
[5-amino-1-[1-(2-chlorophenyl)ethyl]benzimidazol-2-yl]methanol
CID 62595467
2-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-N-propylpropanamide
CID 62594171
[5-amino-1-[1-(2,5-dimethylfuran-3-yl)ethyl]benzimidazol-2-yl]methanol
CID 62595107
[5-amino-1-(dimethylamino)benzimidazol-2-yl]methanol
CID 83024491
2-(chloromethyl)-5-iodo-1-(1-methoxypentan-2-yl)benzimidazole
CID 66080675
[5-amino-1-(3-ethoxypropyl)benzimidazol-2-yl]methanol
CID 62589251

Frequently Asked Questions

What is the IUPAC name of 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol?
The IUPAC name of 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol (CID 106162666) is 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol is COCC(CCO)n1c(CO)nc2cc(N)ccc21.
What is the InChIKey of 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol?
The InChIKey is LGOGSSMNKYOOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-8-10(4-5-17)16-12-3-2-9(14)6-11(12)15-13(16)7-18/h2-3,6,10,17-18H,4-5,7-8,14H2,1H3.
What are the key properties of 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol?
3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol has a molecular weight of 265.31 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-amino-2-(hydroxymethyl)benzimidazol-1-yl]-4-methoxybutan-1-ol is sourced from PubChem (CID 106162666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).