1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine

C14H18FN3 — CID 114703449

IUPAC1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-10(2)7-12(16)14-8-17-9-18(14)13-6-4-3-5-11(13)15/h3-6,8-10,12H,7,16H2,1-2H3
InChIKeyABQICPHRULAVSH-UHFFFAOYSA-N
MW247.32 g/mol
LogP3.06
Rot. Bonds4

About 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine

1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 114703449) has the molecular formula C14H18FN3 and a molecular weight of 247.32 g/mol. Its IUPAC name is 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID114703449
Molecular FormulaC14H18FN3
Molecular Weight247.32 g/mol
Exact Mass247.15
IUPAC Name1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)CC(N)c1cncn1-c1ccccc1F
InChIInChI=1S/C14H18FN3/c1-10(2)7-12(16)14-8-17-9-18(14)13-6-4-3-5-11(13)15/h3-6,8-10,12H,7,16H2,1-2H3
InChIKeyABQICPHRULAVSH-UHFFFAOYSA-N
XLogP3.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine (CID 114703449) is 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine is CC(C)CC(N)c1cncn1-c1ccccc1F.
What is the InChIKey of 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is ABQICPHRULAVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3/c1-10(2)7-12(16)14-8-17-9-18(14)13-6-4-3-5-11(13)15/h3-6,8-10,12H,7,16H2,1-2H3.
What are the key properties of 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine?
1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 247.32 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluorophenyl)imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 114703449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).