2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine

C20H25N3O — CID 82145196

IUPAC2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
SMILESCc1cccc(-c2nc3cc(C)c(C)cc3n2CCOCCN)c1
InChIInChI=1S/C20H25N3O/c1-14-5-4-6-17(11-14)20-22-18-12-15(2)16(3)13-19(18)23(20)8-10-24-9-7-21/h4-6,11-13H,7-10,21H2,1-3H3
InChIKeyKZPBVHBXNSEGKS-UHFFFAOYSA-N
MW323.44 g/mol
LogP3.60
Rot. Bonds6

About 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine

2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine (PubChem CID 82145196) has the molecular formula C20H25N3O and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
PubChem CID82145196
Molecular FormulaC20H25N3O
Molecular Weight323.44 g/mol
Exact Mass323.20
IUPAC Name2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine
SMILESCc1cccc(-c2nc3cc(C)c(C)cc3n2CCOCCN)c1
InChIInChI=1S/C20H25N3O/c1-14-5-4-6-17(11-14)20-22-18-12-15(2)16(3)13-19(18)23(20)8-10-24-9-7-21/h4-6,11-13H,7-10,21H2,1-3H3
InChIKeyKZPBVHBXNSEGKS-UHFFFAOYSA-N
XLogP3.60
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(5,6-dimethyl-2-pyridin-3-ylbenzimidazol-1-yl)ethoxy]ethanamine
CID 94748156
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
3-[6-(3-methylphenyl)-[1,3]dioxolo[4,5-f]benzimidazol-7-yl]propan-1-amine
CID 94748670
5-chloro-1-(3-ethoxypropyl)-2-(3-methylphenyl)benzimidazole
CID 46308726
1-[2-(2-methoxyphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000783
2-(5,6-dimethoxy-2-phenylbenzimidazol-1-yl)ethanamine
CID 82145483
2-[5,6-dichloro-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 94755758
3-[2-(3-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]propan-1-ol
CID 94756196
4-[2-(4-fluorophenyl)-5,6-dimethylbenzimidazol-1-yl]butan-1-amine
CID 94748001
4-[2-(3-methoxyphenyl)-5,6-dimethylbenzimidazol-1-yl]butanenitrile
CID 94757379
2-[2-(3,4-dimethylphenyl)-5,6-difluorobenzimidazol-1-yl]ethanamine
CID 82146233
1-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(3-methylphenyl)benzimidazole
CID 17000788

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine?
The IUPAC name of 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine (CID 82145196) is 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine is Cc1cccc(-c2nc3cc(C)c(C)cc3n2CCOCCN)c1.
What is the InChIKey of 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine?
The InChIKey is KZPBVHBXNSEGKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O/c1-14-5-4-6-17(11-14)20-22-18-12-15(2)16(3)13-19(18)23(20)8-10-24-9-7-21/h4-6,11-13H,7-10,21H2,1-3H3.
What are the key properties of 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine?
2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine has a molecular weight of 323.44 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5,6-dimethyl-2-(3-methylphenyl)benzimidazol-1-yl]ethoxy]ethanamine is sourced from PubChem (CID 82145196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).