2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride

C11H16ClN3O — CID 72942363

IUPAC2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
SMILESCNCCc1nc2ccc(OC)cc2[nH]1.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-12-6-5-11-13-9-4-3-8(15-2)7-10(9)14-11;/h3-4,7,12H,5-6H2,1-2H3,(H,13,14);1H
InChIKeyJWGXKBKQIYVETN-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.76
Rot. Bonds4

About 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride

2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride (PubChem CID 72942363) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
PubChem CID72942363
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
SMILESCNCCc1nc2ccc(OC)cc2[nH]1.Cl
InChIInChI=1S/C11H15N3O.ClH/c1-12-6-5-11-13-9-4-3-8(15-2)7-10(9)14-11;/h3-4,7,12H,5-6H2,1-2H3,(H,13,14);1H
InChIKeyJWGXKBKQIYVETN-UHFFFAOYSA-N
XLogP1.76
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]-2-methylpropan-2-amine
CID 65017857
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]hexan-1-amine
CID 82336889
2-(6-chloro-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride
CID 53398953
2-hexyl-6-methoxy-1H-benzimidazole
CID 114753150
4-(6-methoxy-1H-benzimidazol-2-yl)butan-2-amine
CID 65018041
2-(6-methoxy-1H-benzimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 82337004
6-methoxy-2-[(3-methoxyphenyl)methyl]-1H-benzimidazole
CID 65017876
N-[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl]thiomorpholine-4-carboxamide
CID 119069776
6-methoxy-N-methyl-1H-benzimidazol-2-amine
CID 82562601
2-(chloromethyl)-6-methoxy-1H-benzimidazole;methane;(6-methoxy-1H-benzimidazol-2-yl)methanol
CID 161003256
6-methoxy-2-(thiophen-3-ylmethyl)-1H-benzimidazole
CID 65017413
3-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-methylpropan-1-amine
CID 61386487

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride?
The IUPAC name of 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride (CID 72942363) is 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride.
What is the SMILES notation for 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride?
The canonical SMILES for 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride is CNCCc1nc2ccc(OC)cc2[nH]1.Cl.
What is the InChIKey of 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride?
The InChIKey is JWGXKBKQIYVETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O.ClH/c1-12-6-5-11-13-9-4-3-8(15-2)7-10(9)14-11;/h3-4,7,12H,5-6H2,1-2H3,(H,13,14);1H.
What are the key properties of 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride?
2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-1H-benzimidazol-2-yl)-N-methylethanamine;hydrochloride is sourced from PubChem (CID 72942363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).