5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine

C15H13ClFN3 — CID 66077324

IUPAC5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine
SMILESCCc1ccccc1-n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H13ClFN3/c1-2-9-5-3-4-6-13(9)20-14-8-11(17)10(16)7-12(14)19-15(20)18/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyQLVKTWAHLPDXIL-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.96
Rot. Bonds2

About 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine

5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine (PubChem CID 66077324) has the molecular formula C15H13ClFN3 and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine.

Molecular Properties

Compound Name5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine
PubChem CID66077324
Molecular FormulaC15H13ClFN3
Molecular Weight289.74 g/mol
Exact Mass289.08
IUPAC Name5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine
SMILESCCc1ccccc1-n1c(N)nc2cc(Cl)c(F)cc21
InChIInChI=1S/C15H13ClFN3/c1-2-9-5-3-4-6-13(9)20-14-8-11(17)10(16)7-12(14)19-15(20)18/h3-8H,2H2,1H3,(H2,18,19)
InChIKeyQLVKTWAHLPDXIL-UHFFFAOYSA-N
XLogP3.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine?
The IUPAC name of 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine (CID 66077324) is 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine.
What is the SMILES notation for 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine?
The canonical SMILES for 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine is CCc1ccccc1-n1c(N)nc2cc(Cl)c(F)cc21.
What is the InChIKey of 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine?
The InChIKey is QLVKTWAHLPDXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3/c1-2-9-5-3-4-6-13(9)20-14-8-11(17)10(16)7-12(14)19-15(20)18/h3-8H,2H2,1H3,(H2,18,19).
What are the key properties of 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine?
5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine has a molecular weight of 289.74 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(2-ethylphenyl)-6-fluorobenzimidazol-2-amine is sourced from PubChem (CID 66077324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).