2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine

C15H14ClN3 — CID 83813225

IUPAC2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
SMILESCCn1c(-c2ccc(Cl)cc2)nc2cc(N)ccc21
InChIInChI=1S/C15H14ClN3/c1-2-19-14-8-7-12(17)9-13(14)18-15(19)10-3-5-11(16)6-4-10/h3-9H,2,17H2,1H3
InChIKeyMDVPHODXRFXXKQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP3.96
Rot. Bonds2

About 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine

2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine (PubChem CID 83813225) has the molecular formula C15H14ClN3 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
PubChem CID83813225
Molecular FormulaC15H14ClN3
Molecular Weight271.75 g/mol
Exact Mass271.09
IUPAC Name2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
SMILESCCn1c(-c2ccc(Cl)cc2)nc2cc(N)ccc21
InChIInChI=1S/C15H14ClN3/c1-2-19-14-8-7-12(17)9-13(14)18-15(19)10-3-5-11(16)6-4-10/h3-9H,2,17H2,1H3
InChIKeyMDVPHODXRFXXKQ-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 53.96
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

1-ethyl-2-(3-methylphenyl)benzimidazol-5-amine
CID 82382499
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
4-chloro-3-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 60861711
4-[1-[(4-chlorophenyl)methyl]-5,6-dimethylbenzimidazol-2-yl]aniline
CID 92635754
2-chloro-5-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60784511
[4-(6-chloro-1-ethylbenzimidazol-2-yl)phenyl]methanamine
CID 115472637
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
2-[2-(4-chlorophenyl)-5,6-dimethylbenzimidazol-1-yl]ethanamine
CID 82145276
2-(5-chloro-1-ethylbenzimidazol-2-yl)benzene-1,3-diol
CID 136813261
5-(1,5-diethylbenzimidazol-2-yl)-2-methylaniline
CID 82333570

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine?
The IUPAC name of 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine (CID 83813225) is 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine?
The canonical SMILES for 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine is CCn1c(-c2ccc(Cl)cc2)nc2cc(N)ccc21.
What is the InChIKey of 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine?
The InChIKey is MDVPHODXRFXXKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3/c1-2-19-14-8-7-12(17)9-13(14)18-15(19)10-3-5-11(16)6-4-10/h3-9H,2,17H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine?
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine has a molecular weight of 271.75 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine is sourced from PubChem (CID 83813225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).