2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine

C15H14FN3 — CID 55080306

IUPAC2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1ccc(F)cc1
InChIInChI=1S/C15H14FN3/c1-2-15-18-13-9-11(17)5-8-14(13)19(15)12-6-3-10(16)4-7-12/h3-9H,2,17H2,1H3
InChIKeySCFPIJYVSQIASF-UHFFFAOYSA-N
MW255.30 g/mol
LogP3.31
Rot. Bonds2

About 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine

2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine (PubChem CID 55080306) has the molecular formula C15H14FN3 and a molecular weight of 255.30 g/mol. Its IUPAC name is 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine.

Molecular Properties

Compound Name2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
PubChem CID55080306
Molecular FormulaC15H14FN3
Molecular Weight255.30 g/mol
Exact Mass255.12
IUPAC Name2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine
SMILESCCc1nc2cc(N)ccc2n1-c1ccc(F)cc1
InChIInChI=1S/C15H14FN3/c1-2-15-18-13-9-11(17)5-8-14(13)19(15)12-6-3-10(16)4-7-12/h3-9H,2,17H2,1H3
InChIKeySCFPIJYVSQIASF-UHFFFAOYSA-N
XLogP3.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.30
LogP ≤ 53.31
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-Methylbenzimidazole
CID 11984
Benzimidazole, 2-butyl-
CID 22122
2-Ethylbenzimidazole
CID 15807
1H-Benzimidazol-6-amine, 2-(4-aminophenyl)-
CID 24260
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
2-(4-Fluoro-phenyl)-1H-benzoimidazole
CID 101259
1-ethyl-1H-1,3-benzodiazol-2-amine
CID 595193
1-Phenyl-1H-benzoimidazole
CID 606669
5-Amino-2-(trifluoromethyl)benzimidazole
CID 19345
2-Propyl-1H-benzimidazole
CID 21624
2-Amino-1-methylbenzimidazole
CID 74187
4-(1H-1,3-benzodiazol-1-yl)aniline
CID 5328453

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine?
The IUPAC name of 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine (CID 55080306) is 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine.
What is the SMILES notation for 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine?
The canonical SMILES for 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine is CCc1nc2cc(N)ccc2n1-c1ccc(F)cc1.
What is the InChIKey of 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine?
The InChIKey is SCFPIJYVSQIASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3/c1-2-15-18-13-9-11(17)5-8-14(13)19(15)12-6-3-10(16)4-7-12/h3-9H,2,17H2,1H3.
What are the key properties of 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine?
2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine has a molecular weight of 255.30 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(4-fluorophenyl)benzimidazol-5-amine is sourced from PubChem (CID 55080306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).