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

C13H13ClFN3 — CID 114064546

IUPAC5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine
SMILESCc1nc(-c2ccc(F)cc2Cl)c(N)n1C1CC1
InChIInChI=1S/C13H13ClFN3/c1-7-17-12(13(16)18(7)9-3-4-9)10-5-2-8(15)6-11(10)14/h2,5-6,9H,3-4,16H2,1H3
InChIKeyUFWHRSKHJPPELO-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.57
Rot. Bonds2

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

5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine (PubChem CID 114064546) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine
PubChem CID114064546
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine
SMILESCc1nc(-c2ccc(F)cc2Cl)c(N)n1C1CC1
InChIInChI=1S/C13H13ClFN3/c1-7-17-12(13(16)18(7)9-3-4-9)10-5-2-8(15)6-11(10)14/h2,5-6,9H,3-4,16H2,1H3
InChIKeyUFWHRSKHJPPELO-UHFFFAOYSA-N
XLogP3.57
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 ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine?
The IUPAC name of 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine (CID 114064546) is 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine.
What is the SMILES notation for 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine?
The canonical SMILES for 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine is Cc1nc(-c2ccc(F)cc2Cl)c(N)n1C1CC1.
What is the InChIKey of 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine?
The InChIKey is UFWHRSKHJPPELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c1-7-17-12(13(16)18(7)9-3-4-9)10-5-2-8(15)6-11(10)14/h2,5-6,9H,3-4,16H2,1H3.
What are the key properties of 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine?
5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine has a molecular weight of 265.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-fluorophenyl)-3-cyclopropyl-2-methylimidazol-4-amine is sourced from PubChem (CID 114064546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).