2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine

C16H17N3O — CID 65017722

IUPAC2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine
SMILESCOc1ccc2nc(-c3ccccc3CCN)[nH]c2c1
InChIInChI=1S/C16H17N3O/c1-20-12-6-7-14-15(10-12)19-16(18-14)13-5-3-2-4-11(13)8-9-17/h2-7,10H,8-9,17H2,1H3,(H,18,19)
InChIKeyZBGUYOHFQPMGKA-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.74
Rot. Bonds4

About 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine

2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine (PubChem CID 65017722) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine
PubChem CID65017722
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine
SMILESCOc1ccc2nc(-c3ccccc3CCN)[nH]c2c1
InChIInChI=1S/C16H17N3O/c1-20-12-6-7-14-15(10-12)19-16(18-14)13-5-3-2-4-11(13)8-9-17/h2-7,10H,8-9,17H2,1H3,(H,18,19)
InChIKeyZBGUYOHFQPMGKA-UHFFFAOYSA-N
XLogP2.74
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65017607
6-methoxy-2-naphthalen-1-yl-1H-benzimidazole
CID 65017512
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
2-[2-(5-methoxy-1H-imidazo[4,5-b]pyridin-2-yl)phenyl]ethanamine
CID 65484218
N-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]acetamide
CID 18984570
2-[2-(6-bromo-1H-benzimidazol-2-yl)phenyl]-N-methylethanamine
CID 104547190
2-(2,5-dimethylphenyl)-6-methoxy-1H-benzimidazole
CID 65017877
2-(4-chloro-2-fluorophenyl)-6-methoxy-1H-benzimidazole
CID 65018051
3-(6-methoxy-1H-benzimidazol-2-yl)-5-methylthiophen-2-amine
CID 65017726
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
4-chloro-2-(6-methoxy-1H-benzimidazol-2-yl)phenol
CID 135905264
3-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 754001

Frequently Asked Questions

What is the IUPAC name of 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine (CID 65017722) is 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine is COc1ccc2nc(-c3ccccc3CCN)[nH]c2c1.
What is the InChIKey of 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine?
The InChIKey is ZBGUYOHFQPMGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-20-12-6-7-14-15(10-12)19-16(18-14)13-5-3-2-4-11(13)8-9-17/h2-7,10H,8-9,17H2,1H3,(H,18,19).
What are the key properties of 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine?
2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine has a molecular weight of 267.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(6-methoxy-1H-benzimidazol-2-yl)phenyl]ethanamine is sourced from PubChem (CID 65017722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).