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

C12H13ClFN3 — CID 62018105

IUPAC5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2ccc(Cl)c(F)c2)c1N
InChIInChI=1S/C12H13ClFN3/c1-7(2)17-6-16-11(12(17)15)8-3-4-9(13)10(14)5-8/h3-7H,15H2,1-2H3
InChIKeyCDHLBKYRTHRMAP-UHFFFAOYSA-N
MW253.71 g/mol
LogP3.51
Rot. Bonds2

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

5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62018105) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
PubChem CID62018105
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1cnc(-c2ccc(Cl)c(F)c2)c1N
InChIInChI=1S/C12H13ClFN3/c1-7(2)17-6-16-11(12(17)15)8-3-4-9(13)10(14)5-8/h3-7H,15H2,1-2H3
InChIKeyCDHLBKYRTHRMAP-UHFFFAOYSA-N
XLogP3.51
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine (CID 62018105) is 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine is CC(C)n1cnc(-c2ccc(Cl)c(F)c2)c1N.
What is the InChIKey of 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is CDHLBKYRTHRMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-7(2)17-6-16-11(12(17)15)8-3-4-9(13)10(14)5-8/h3-7H,15H2,1-2H3.
What are the key properties of 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine?
5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 253.71 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-3-fluorophenyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62018105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).