2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine

C17H19N3 — CID 82304182

IUPAC2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc3ccc(CCN)cc3[nH]2)cc1C
InChIInChI=1S/C17H19N3/c1-11-3-5-14(9-12(11)2)17-19-15-6-4-13(7-8-18)10-16(15)20-17/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20)
InChIKeyYNWPUPLHKNOQNP-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.35
Rot. Bonds3

About 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine

2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine (PubChem CID 82304182) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
PubChem CID82304182
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine
SMILESCc1ccc(-c2nc3ccc(CCN)cc3[nH]2)cc1C
InChIInChI=1S/C17H19N3/c1-11-3-5-14(9-12(11)2)17-19-15-6-4-13(7-8-18)10-16(15)20-17/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20)
InChIKeyYNWPUPLHKNOQNP-UHFFFAOYSA-N
XLogP3.35
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(3-methoxy-4-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004525
2-(2-pyridin-3-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292187
3-[2-(4-fluorophenyl)-3H-benzimidazol-5-yl]propan-1-amine
CID 82305555
2-(3,4-dimethylphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756456
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-[3-(6-fluoro-1H-benzimidazol-2-yl)phenyl]ethanamine
CID 63793363
2-[3-(2-aminoethyl)phenyl]-3H-benzimidazol-5-ol
CID 81431977
[2-(3-methylphenyl)-3H-benzimidazol-5-yl]methanamine
CID 79004545
1-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanone
CID 82303742
2-(2-pyridin-2-yl-3H-benzimidazol-5-yl)ethanamine
CID 82292186
2-[2-(3,4-dimethylphenyl)-1,3-benzoxazol-5-yl]ethanamine
CID 82304478
2-[2-[hydroxy(dimethyl)-λ4-sulfanyl]-3H-benzimidazol-5-yl]ethanamine
CID 123909536

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine?
The IUPAC name of 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine (CID 82304182) is 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine.
What is the SMILES notation for 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine?
The canonical SMILES for 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine is Cc1ccc(-c2nc3ccc(CCN)cc3[nH]2)cc1C.
What is the InChIKey of 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine?
The InChIKey is YNWPUPLHKNOQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-11-3-5-14(9-12(11)2)17-19-15-6-4-13(7-8-18)10-16(15)20-17/h3-6,9-10H,7-8,18H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine?
2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine has a molecular weight of 265.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethylphenyl)-3H-benzimidazol-5-yl]ethanamine is sourced from PubChem (CID 82304182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).