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

C13H15ClFN3 — CID 102969634

IUPAC1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFN3/c1-8(2)13(16)12-6-17-7-18(12)9-3-4-10(14)11(15)5-9/h3-8,13H,16H2,1-2H3
InChIKeyAYYXSLMFHIMTEJ-UHFFFAOYSA-N
MW267.74 g/mol
LogP3.32
Rot. Bonds3

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

1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine (PubChem CID 102969634) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
PubChem CID102969634
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine
SMILESCC(C)C(N)c1cncn1-c1ccc(Cl)c(F)c1
InChIInChI=1S/C13H15ClFN3/c1-8(2)13(16)12-6-17-7-18(12)9-3-4-10(14)11(15)5-9/h3-8,13H,16H2,1-2H3
InChIKeyAYYXSLMFHIMTEJ-UHFFFAOYSA-N
XLogP3.32
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The IUPAC name of 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine (CID 102969634) is 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine.
What is the SMILES notation for 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The canonical SMILES for 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine is CC(C)C(N)c1cncn1-c1ccc(Cl)c(F)c1.
What is the InChIKey of 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine?
The InChIKey is AYYXSLMFHIMTEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-8(2)13(16)12-6-17-7-18(12)9-3-4-10(14)11(15)5-9/h3-8,13H,16H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine?
1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine has a molecular weight of 267.74 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-3-fluorophenyl)imidazol-4-yl]-2-methylpropan-1-amine is sourced from PubChem (CID 102969634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).