4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline

C15H13F2N3 — CID 63187874

IUPAC4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
SMILESCCn1c(-c2ccc(N)c(F)c2)nc2ccc(F)cc21
InChIInChI=1S/C15H13F2N3/c1-2-20-14-8-10(16)4-6-13(14)19-15(20)9-3-5-12(18)11(17)7-9/h3-8H,2,18H2,1H3
InChIKeyYRSYXHHIKCCUAA-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.58
Rot. Bonds2

About 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline

4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline (PubChem CID 63187874) has the molecular formula C15H13F2N3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline.

Molecular Properties

Compound Name4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
PubChem CID63187874
Molecular FormulaC15H13F2N3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline
SMILESCCn1c(-c2ccc(N)c(F)c2)nc2ccc(F)cc21
InChIInChI=1S/C15H13F2N3/c1-2-20-14-8-10(16)4-6-13(14)19-15(20)9-3-5-12(18)11(17)7-9/h3-8H,2,18H2,1H3
InChIKeyYRSYXHHIKCCUAA-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

4-(1-ethylbenzimidazol-2-yl)-2-fluoroaniline
CID 63187870
4-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136885635
2-fluoro-4-(1-propylbenzimidazol-2-yl)aniline
CID 63187871
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzoic acid
CID 62924974
5-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-methoxyaniline
CID 63743435
2-fluoro-4-(5-fluoro-1-propan-2-ylbenzimidazol-2-yl)aniline
CID 63188091
2-fluoro-4-[1-(2-fluoroethyl)benzimidazol-2-yl]aniline
CID 58362359
5-(6-chloro-1-ethylbenzimidazol-2-yl)-2,4-difluoroaniline
CID 115472738
2-(1-ethyl-5-fluorobenzimidazol-2-yl)-5-fluoroaniline
CID 60784226
1-ethyl-6-fluoro-2-(4-pyrazin-2-yloxyphenyl)benzimidazole
CID 138038624
3-(1-ethyl-6-fluorobenzimidazol-2-yl)benzene-1,2-diol
CID 136928271
[4-(1-ethyl-6-fluorobenzimidazol-2-yl)-1,3-thiazol-2-yl]methanamine
CID 66380869

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline?
The IUPAC name of 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline (CID 63187874) is 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline.
What is the SMILES notation for 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline?
The canonical SMILES for 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline is CCn1c(-c2ccc(N)c(F)c2)nc2ccc(F)cc21.
What is the InChIKey of 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline?
The InChIKey is YRSYXHHIKCCUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N3/c1-2-20-14-8-10(16)4-6-13(14)19-15(20)9-3-5-12(18)11(17)7-9/h3-8H,2,18H2,1H3.
What are the key properties of 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline?
4-(1-ethyl-6-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 4-(1-ethyl-6-fluorobenzimidazol-2-yl)-2-fluoroaniline is sourced from PubChem (CID 63187874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).