2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine

C17H19N3O — CID 105115151

IUPAC2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)Cn2cnc3ccccc32)c(C)c1
InChIInChI=1S/C17H19N3O/c1-12-9-13(21-2)7-8-14(12)15(18)10-20-11-19-16-5-3-4-6-17(16)20/h3-9,11,15H,10,18H2,1-2H3
InChIKeyYOAXYRMLNZDZKA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.05
Rot. Bonds4

About 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine

2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine (PubChem CID 105115151) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine
PubChem CID105115151
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine
SMILESCOc1ccc(C(N)Cn2cnc3ccccc32)c(C)c1
InChIInChI=1S/C17H19N3O/c1-12-9-13(21-2)7-8-14(12)15(18)10-20-11-19-16-5-3-4-6-17(16)20/h3-9,11,15H,10,18H2,1-2H3
InChIKeyYOAXYRMLNZDZKA-UHFFFAOYSA-N
XLogP3.05
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzimidazol-1-yl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 105169896
1-[(2,5-dimethoxyphenyl)methyl]benzimidazole
CID 139217669
methyl 2-amino-3-(benzimidazol-1-yl)propanoate
CID 20794416
[2-(benzimidazol-1-yl)-1-(2,5-dimethylphenyl)ethyl]hydrazine
CID 105292476
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(benzimidazol-1-yl)-3-(2-methoxyphenyl)propan-2-amine
CID 105107290
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
[2-(benzimidazol-1-yl)-4-methoxyphenyl]methanamine
CID 81299090
(2R)-1-(benzimidazol-1-yl)-3-(2-methylphenoxy)propan-2-ol
CID 819220
[1-(benzimidazol-1-yl)-3-(4-methoxyphenoxy)propan-2-yl] acetate
CID 3155816
1-(4-methoxy-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 79093283

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine?
The IUPAC name of 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine (CID 105115151) is 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine.
What is the SMILES notation for 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine?
The canonical SMILES for 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine is COc1ccc(C(N)Cn2cnc3ccccc32)c(C)c1.
What is the InChIKey of 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine?
The InChIKey is YOAXYRMLNZDZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-9-13(21-2)7-8-14(12)15(18)10-20-11-19-16-5-3-4-6-17(16)20/h3-9,11,15H,10,18H2,1-2H3.
What are the key properties of 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine?
2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-1-(4-methoxy-2-methylphenyl)ethanamine is sourced from PubChem (CID 105115151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).