2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine

C17H19N3O2 — CID 82145483

IUPAC2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
SMILESCOc1cc2nc(-c3ccccc3)n(CCN)c2cc1OC
InChIInChI=1S/C17H19N3O2/c1-21-15-10-13-14(11-16(15)22-2)20(9-8-18)17(19-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyKLYQDUUEIKHAHQ-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.68
Rot. Bonds5

About 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine

2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine (PubChem CID 82145483) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
PubChem CID82145483
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
SMILESCOc1cc2nc(-c3ccccc3)n(CCN)c2cc1OC
InChIInChI=1S/C17H19N3O2/c1-21-15-10-13-14(11-16(15)22-2)20(9-8-18)17(19-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9,18H2,1-2H3
InChIKeyKLYQDUUEIKHAHQ-UHFFFAOYSA-N
XLogP2.68
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine
CID 94748494
3-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]propan-1-ol
CID 82149581
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
3-(5,6-difluoro-2-phenylbenzimidazol-1-yl)propan-1-amine
CID 82146184
2-[5,6-dimethoxy-2-(4-methylphenyl)benzimidazol-1-yl]ethanethioamide
CID 39158035
2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 82146233
3-[5,6-dimethoxy-2-(2-methylphenyl)benzimidazol-1-yl]propanenitrile
CID 94748439
1-[3-(2-methoxyphenoxy)propyl]-2-phenylbenzimidazole
CID 17000531
2-(5,6-dimethoxy-2-pyridin-3-ylbenzimidazol-1-yl)acetonitrile
CID 39158040
2-[2-(3-fluorophenyl)-5,6-dimethoxybenzimidazol-1-yl]acetonitrile
CID 94748447
4-[5,6-dimethyl-1-(3-phenylpropyl)benzimidazol-2-yl]aniline
CID 92635779
2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
CID 82145196

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine?
The IUPAC name of 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine (CID 82145483) is 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine?
The canonical SMILES for 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine is COc1cc2nc(-c3ccccc3)n(CCN)c2cc1OC.
What is the InChIKey of 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine?
The InChIKey is KLYQDUUEIKHAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-21-15-10-13-14(11-16(15)22-2)20(9-8-18)17(19-13)12-6-4-3-5-7-12/h3-7,10-11H,8-9,18H2,1-2H3.
What are the key properties of 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine?
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine has a molecular weight of 297.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine is sourced from PubChem (CID 82145483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).