2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine

C17H19N3 — CID 82067963

IUPAC2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
SMILESCCn1c(-c2ccc(C)c(C)c2)nc2c(N)cccc21
InChIInChI=1S/C17H19N3/c1-4-20-15-7-5-6-14(18)16(15)19-17(20)13-9-8-11(2)12(3)10-13/h5-10H,4,18H2,1-3H3
InChIKeyGLWKBXMBGMWILU-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.92
Rot. Bonds2

About 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine

2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine (PubChem CID 82067963) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
PubChem CID82067963
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
SMILESCCn1c(-c2ccc(C)c(C)c2)nc2c(N)cccc21
InChIInChI=1S/C17H19N3/c1-4-20-15-7-5-6-14(18)16(15)19-17(20)13-9-8-11(2)12(3)10-13/h5-10H,4,18H2,1-3H3
InChIKeyGLWKBXMBGMWILU-UHFFFAOYSA-N
XLogP3.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
CID 60835551
2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
CID 60835711
2-(4-methylphenyl)-1-pentylbenzimidazol-4-amine
CID 82067840
2-[4-amino-2-(3-methylphenyl)benzimidazol-1-yl]ethanol
CID 82067826
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
CID 82068333
2-(3-methoxyphenyl)-1-(2-methylpropyl)benzimidazol-4-amine
CID 82067936
5-(1-ethyl-4-fluorobenzimidazol-2-yl)pyridin-2-amine
CID 63262168
2-(3,4-dimethoxyphenyl)-1-methylbenzimidazol-4-amine
CID 82067974
4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
2-[(2,3-dimethylphenoxy)methyl]-1-ethylbenzimidazol-4-amine
CID 82068193
2-(4-fluorophenyl)-1-prop-2-enylbenzimidazol-4-amine
CID 82067903

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine?
The IUPAC name of 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine (CID 82067963) is 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine is CCn1c(-c2ccc(C)c(C)c2)nc2c(N)cccc21.
What is the InChIKey of 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine?
The InChIKey is GLWKBXMBGMWILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-4-20-15-7-5-6-14(18)16(15)19-17(20)13-9-8-11(2)12(3)10-13/h5-10H,4,18H2,1-3H3.
What are the key properties of 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine?
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine has a molecular weight of 265.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine is sourced from PubChem (CID 82067963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).