1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine

C15H12Cl2FN3 — CID 83072700

IUPAC1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H12Cl2FN3/c1-2-14-20-12-7-9(19)3-4-13(12)21(14)15-10(16)5-8(18)6-11(15)17/h3-7H,2,19H2,1H3
InChIKeyOTKIEPZJOHFYEA-UHFFFAOYSA-N
MW324.19 g/mol
LogP4.62
Rot. Bonds2

About 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine

1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine (PubChem CID 83072700) has the molecular formula C15H12Cl2FN3 and a molecular weight of 324.19 g/mol. Its IUPAC name is 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine.

Molecular Properties

Compound Name1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
PubChem CID83072700
Molecular FormulaC15H12Cl2FN3
Molecular Weight324.19 g/mol
Exact Mass323.04
IUPAC Name1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H12Cl2FN3/c1-2-14-20-12-7-9(19)3-4-13(12)21(14)15-10(16)5-8(18)6-11(15)17/h3-7H,2,19H2,1H3
InChIKeyOTKIEPZJOHFYEA-UHFFFAOYSA-N
XLogP4.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 54.62
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

2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
CID 55080306
1-(2,6-difluoro-3-methylphenyl)-2-ethylbenzimidazol-5-amine
CID 82803563
2-ethyl-1-(3-fluoro-2-methylphenyl)benzimidazol-5-amine
CID 62507061
1-(2,6-difluorophenyl)-2-propylbenzimidazol-5-amine
CID 62506849
1-(4-bromo-3,5-dimethylphenyl)-2-ethylbenzimidazol-5-amine
CID 107579219
1-(2-chloro-4,6-difluorophenyl)-5-methylbenzimidazol-2-amine
CID 83087950
1-(2,4-dibromophenyl)-2-ethylbenzimidazol-5-amine
CID 63495969
[5-amino-1-(4-bromo-2,6-dimethylphenyl)benzimidazol-2-yl]methanol
CID 65499669
1-(4-chlorophenyl)-2-propylbenzimidazol-5-amine
CID 63496681
2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
CID 62506691
2-ethyl-1-(3-propan-2-ylphenyl)benzimidazol-5-amine
CID 63498452
1-[3-(dimethylamino)phenyl]-2-ethylbenzimidazol-5-amine
CID 115379112

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine?
The IUPAC name of 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine (CID 83072700) is 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine.
What is the SMILES notation for 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine?
The canonical SMILES for 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine?
The InChIKey is OTKIEPZJOHFYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2FN3/c1-2-14-20-12-7-9(19)3-4-13(12)21(14)15-10(16)5-8(18)6-11(15)17/h3-7H,2,19H2,1H3.
What are the key properties of 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine?
1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine has a molecular weight of 324.19 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichloro-4-fluorophenyl)-2-ethylbenzimidazol-5-amine is sourced from PubChem (CID 83072700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).