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

C15H13F2N3 — CID 60784226

IUPAC2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
SMILESCCn1c(-c2ccc(F)cc2N)nc2cc(F)ccc21
InChIInChI=1S/C15H13F2N3/c1-2-20-14-6-4-10(17)8-13(14)19-15(20)11-5-3-9(16)7-12(11)18/h3-8H,2,18H2,1H3
InChIKeyNPRQGTUYOXSOAC-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.58
Rot. Bonds2

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

2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline (PubChem CID 60784226) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
PubChem CID60784226
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
SMILESCCn1c(-c2ccc(F)cc2N)nc2cc(F)ccc21
InChIInChI=1S/C15H13F2N3/c1-2-20-14-6-4-10(17)8-13(14)19-15(20)11-5-3-9(16)7-12(11)18/h3-8H,2,18H2,1H3
InChIKeyNPRQGTUYOXSOAC-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'}

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Related Compounds

3-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 60783425
5-(1-ethyl-5-fluorobenzimidazol-2-yl)thiophen-2-amine
CID 54919875
5-chloro-2-(1-ethyl-5-methylbenzimidazol-2-yl)aniline
CID 60785305
2-(1-ethyl-5-fluorobenzimidazol-2-yl)benzene-1,4-diol
CID 136903729
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
5-(5-fluoro-1-propylbenzimidazol-2-yl)benzene-1,3-diamine
CID 107811482
3-(5-bromo-1-ethylbenzimidazol-2-yl)-4-fluoroaniline
CID 60837523
(1-ethyl-5-fluorobenzimidazol-2-yl)methanol
CID 63756217
2-(5-fluoro-1-methylbenzimidazol-2-yl)aniline
CID 60783742
3-chloro-4-(5-chloro-1-ethylbenzimidazol-2-yl)aniline
CID 61399151
5-(5-fluoro-1-propylbenzimidazol-2-yl)-2-methylaniline
CID 60784700
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methylpropan-1-amine
CID 113307952

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline?
The IUPAC name of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline (CID 60784226) is 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline?
The canonical SMILES for 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline is CCn1c(-c2ccc(F)cc2N)nc2cc(F)ccc21.
What is the InChIKey of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline?
The InChIKey is NPRQGTUYOXSOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c1-2-20-14-6-4-10(17)8-13(14)19-15(20)11-5-3-9(16)7-12(11)18/h3-8H,2,18H2,1H3.
What are the key properties of 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline?
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-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 2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline is sourced from PubChem (CID 60784226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).