5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine

C13H13ClFN3 — CID 55048692

IUPAC5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine
SMILESCn1c(C2CC2)nc(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C13H13ClFN3/c1-18-12(16)11(17-13(18)7-5-6-7)10-8(14)3-2-4-9(10)15/h2-4,7H,5-6,16H2,1H3
InChIKeyOZOMGUFOHONVCX-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.34
Rot. Bonds2

About 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine

5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine (PubChem CID 55048692) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine
PubChem CID55048692
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine
SMILESCn1c(C2CC2)nc(-c2c(F)cccc2Cl)c1N
InChIInChI=1S/C13H13ClFN3/c1-18-12(16)11(17-13(18)7-5-6-7)10-8(14)3-2-4-9(10)15/h2-4,7H,5-6,16H2,1H3
InChIKeyOZOMGUFOHONVCX-UHFFFAOYSA-N
XLogP3.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine (CID 55048692) is 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine is Cn1c(C2CC2)nc(-c2c(F)cccc2Cl)c1N.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine?
The InChIKey is OZOMGUFOHONVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-18-12(16)11(17-13(18)7-5-6-7)10-8(14)3-2-4-9(10)15/h2-4,7H,5-6,16H2,1H3.
What are the key properties of 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine?
5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-6-fluorophenyl)-2-cyclopropyl-3-methylimidazol-4-amine is sourced from PubChem (CID 55048692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).