2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride

C11H16ClN3O — CID 170893125

IUPAC2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
SMILESCl.Cn1c(CC(N)CO)nc2ccccc21
InChIInChI=1S/C11H15N3O.ClH/c1-14-10-5-3-2-4-9(10)13-11(14)6-8(12)7-15;/h2-5,8,15H,6-7,12H2,1H3;1H
InChIKeyUTCFILBYMIYBEV-UHFFFAOYSA-N
MW241.72 g/mol
LogP0.86
Rot. Bonds3

About 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride

2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride (PubChem CID 170893125) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
PubChem CID170893125
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride
SMILESCl.Cn1c(CC(N)CO)nc2ccccc21
InChIInChI=1S/C11H15N3O.ClH/c1-14-10-5-3-2-4-9(10)13-11(14)6-8(12)7-15;/h2-5,8,15H,6-7,12H2,1H3;1H
InChIKeyUTCFILBYMIYBEV-UHFFFAOYSA-N
XLogP0.86
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride 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

4-methyl-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79753294
5,5,5-trifluoro-1-(1-methylbenzimidazol-2-yl)pentan-2-amine
CID 79953293
1-(1-methylbenzimidazol-2-yl)pentane-2,3-diol
CID 103454668
1-cyclobutyl-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79750402
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-amine
CID 105007666
1-(1-methylbenzimidazol-2-yl)-3-phenylpropan-2-ol
CID 79753827
3-methyl-1-(1-methylbenzimidazol-2-yl)butan-2-ol
CID 79753505
2-(1-methylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79753296
4-cyclopentyl-1-(1-methylbenzimidazol-2-yl)butan-2-amine
CID 105007641
1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropan-2-ol
CID 79754354
2-(4-chloro-2-methylpentyl)-1-methylbenzimidazole
CID 79751041
1-(4-bromophenyl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 79753790

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride (CID 170893125) is 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride is Cl.Cn1c(CC(N)CO)nc2ccccc21.
What is the InChIKey of 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride?
The InChIKey is UTCFILBYMIYBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c1-14-10-5-3-2-4-9(10)13-11(14)6-8(12)7-15;/h2-5,8,15H,6-7,12H2,1H3;1H.
What are the key properties of 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride?
2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-methylbenzimidazol-2-yl)propan-1-ol;hydrochloride is sourced from PubChem (CID 170893125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).