5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline

C15H13F2N3 — CID 60835551

IUPAC5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
SMILESCCn1c(-c2ccc(F)c(N)c2)nc2c(F)cccc21
InChIInChI=1S/C15H13F2N3/c1-2-20-13-5-3-4-11(17)14(13)19-15(20)9-6-7-10(16)12(18)8-9/h3-8H,2,18H2,1H3
InChIKeyZFFLJEMNHFAHOX-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.58
Rot. Bonds2

About 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline

5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline (PubChem CID 60835551) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline.

Molecular Properties

Compound Name5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
PubChem CID60835551
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline
SMILESCCn1c(-c2ccc(F)c(N)c2)nc2c(F)cccc21
InChIInChI=1S/C15H13F2N3/c1-2-20-13-5-3-4-11(17)14(13)19-15(20)9-6-7-10(16)12(18)8-9/h3-8H,2,18H2,1H3
InChIKeyZFFLJEMNHFAHOX-UHFFFAOYSA-N
XLogP3.58
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-5-(1-ethyl-4-fluorobenzimidazol-2-yl)phenol
CID 60835711
5-(1-ethyl-4-fluorobenzimidazol-2-yl)pyridin-2-amine
CID 63262168
2-(3,4-dimethylphenyl)-1-ethylbenzimidazol-4-amine
CID 82067963
2-(1-ethyl-4-fluorobenzimidazol-2-yl)-3-fluorophenol
CID 136789662
4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
2-[4-amino-2-(3,4-difluorophenyl)benzimidazol-1-yl]acetamide
CID 82068333
1-butyl-2-(4-chlorophenyl)benzimidazol-4-amine
CID 82068115
5-(3-amino-4-fluorophenyl)-N,4-diethyl-1,2,4-triazol-3-amine
CID 112597491
2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
CID 60784771
4-[(1-ethyl-4-fluorobenzimidazol-2-yl)methyl]-1,3-thiazol-2-amine
CID 60784474
2-[(1-ethyl-4-fluorobenzimidazol-2-yl)methoxy]aniline
CID 63745698
3-chloro-2-(4-fluoro-1-propylbenzimidazol-2-yl)aniline
CID 63722756

Frequently Asked Questions

What is the IUPAC name of 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline?
The IUPAC name of 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline (CID 60835551) is 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline.
What is the SMILES notation for 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline?
The canonical SMILES for 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline is CCn1c(-c2ccc(F)c(N)c2)nc2c(F)cccc21.
What is the InChIKey of 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline?
The InChIKey is ZFFLJEMNHFAHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c1-2-20-13-5-3-4-11(17)14(13)19-15(20)9-6-7-10(16)12(18)8-9/h3-8H,2,18H2,1H3.
What are the key properties of 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline?
5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline has a molecular weight of 273.29 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethyl-4-fluorobenzimidazol-2-yl)-2-fluoroaniline is sourced from PubChem (CID 60835551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).