2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine

C12H14FN3 — CID 62226219

IUPAC2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine
SMILESCCc1nc(-c2ccccc2F)c(N)n1C
InChIInChI=1S/C12H14FN3/c1-3-10-15-11(12(14)16(10)2)8-6-4-5-7-9(8)13/h4-7H,3,14H2,1-2H3
InChIKeyWXFPAEWFNUGFBZ-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.37
Rot. Bonds2

About 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine

2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine (PubChem CID 62226219) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine.

Molecular Properties

Compound Name2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine
PubChem CID62226219
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine
SMILESCCc1nc(-c2ccccc2F)c(N)n1C
InChIInChI=1S/C12H14FN3/c1-3-10-15-11(12(14)16(10)2)8-6-4-5-7-9(8)13/h4-7H,3,14H2,1-2H3
InChIKeyWXFPAEWFNUGFBZ-UHFFFAOYSA-N
XLogP2.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine?
The IUPAC name of 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine (CID 62226219) is 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine.
What is the SMILES notation for 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine?
The canonical SMILES for 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine is CCc1nc(-c2ccccc2F)c(N)n1C.
What is the InChIKey of 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine?
The InChIKey is WXFPAEWFNUGFBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-3-10-15-11(12(14)16(10)2)8-6-4-5-7-9(8)13/h4-7H,3,14H2,1-2H3.
What are the key properties of 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine?
2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine has a molecular weight of 219.26 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-(2-fluorophenyl)-3-methylimidazol-4-amine is sourced from PubChem (CID 62226219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).