(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride

C13H20ClN3O — CID 67626319

IUPAC(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc2nc([C@@H](N)CC(C)C)[nH]c2c1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-8(2)6-10(14)13-15-11-5-4-9(17-3)7-12(11)16-13;/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyACHRIWPNLVSCLQ-PPHPATTJSA-N
MW269.78 g/mol
LogP3.04
Rot. Bonds4

About (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride

(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride (PubChem CID 67626319) has the molecular formula C13H20ClN3O and a molecular weight of 269.78 g/mol. Its IUPAC name is (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
PubChem CID67626319
Molecular FormulaC13H20ClN3O
Molecular Weight269.78 g/mol
Exact Mass269.13
IUPAC Name(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride
SMILESCOc1ccc2nc([C@@H](N)CC(C)C)[nH]c2c1.Cl
InChIInChI=1S/C13H19N3O.ClH/c1-8(2)6-10(14)13-15-11-5-4-9(17-3)7-12(11)16-13;/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,16);1H/t10-;/m0./s1
InChIKeyACHRIWPNLVSCLQ-PPHPATTJSA-N
XLogP3.04
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.78
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;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

2-methoxy-1-(6-methoxy-1H-benzimidazol-2-yl)ethanamine
CID 81078800
(1R)-1-(6-methoxy-1H-benzimidazol-2-yl)-2-(4-methoxyphenyl)ethanamine
CID 121471175
3-methyl-1-(6-methyl-1H-benzimidazol-2-yl)butan-1-amine
CID 43379497
6-(6-methoxy-1H-benzimidazol-2-yl)heptan-2-amine
CID 65285979
6-methoxy-2-pentan-2-yl-1H-benzimidazole
CID 65017601
2-(6-methoxy-1H-benzimidazol-2-yl)butan-1-amine
CID 65220884
(1R)-3-methyl-1-[6-(1H-pyrazol-4-yl)-1H-benzimidazol-2-yl]butan-1-amine
CID 130405228
(1R)-1-(5-methoxy-6-pyridin-4-yl-1H-benzimidazol-2-yl)-3-methylbutan-1-amine
CID 118864392
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
1-(6-propoxy-1H-benzimidazol-2-yl)propan-1-amine
CID 82331898
2-[1-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]ethanol
CID 82336077

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride (CID 67626319) is (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride is COc1ccc2nc([C@@H](N)CC(C)C)[nH]c2c1.Cl.
What is the InChIKey of (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride?
The InChIKey is ACHRIWPNLVSCLQ-PPHPATTJSA-N. The full InChI is InChI=1S/C13H19N3O.ClH/c1-8(2)6-10(14)13-15-11-5-4-9(17-3)7-12(11)16-13;/h4-5,7-8,10H,6,14H2,1-3H3,(H,15,16);1H/t10-;/m0./s1.
What are the key properties of (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride?
(1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride has a molecular weight of 269.78 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(6-methoxy-1H-benzimidazol-2-yl)-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 67626319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).