5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine

C12H14FN3 — CID 62019586

IUPAC5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2ccccc2F)c1N
InChIInChI=1S/C12H14FN3/c1-8(2)16-7-15-11(12(16)14)9-5-3-4-6-10(9)13/h3-8H,14H2,1-2H3
InChIKeySVHWGTYUBMDPPM-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.85
Rot. Bonds2

About 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine

5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62019586) has the molecular formula C12H14FN3 and a molecular weight of 219.26 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine
PubChem CID62019586
Molecular FormulaC12H14FN3
Molecular Weight219.26 g/mol
Exact Mass219.12
IUPAC Name5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2ccccc2F)c1N
InChIInChI=1S/C12H14FN3/c1-8(2)16-7-15-11(12(16)14)9-5-3-4-6-10(9)13/h3-8H,14H2,1-2H3
InChIKeySVHWGTYUBMDPPM-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine (CID 62019586) is 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine is CC(C)n1cnc(-c2ccccc2F)c1N.
What is the InChIKey of 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is SVHWGTYUBMDPPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3/c1-8(2)16-7-15-11(12(16)14)9-5-3-4-6-10(9)13/h3-8H,14H2,1-2H3.
What are the key properties of 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 219.26 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62019586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).