5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine

C16H19ClFN3 — CID 114454479

IUPAC5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine
SMILESCCn1c(C2CCCC2)nc(-c2cc(F)cc(Cl)c2)c1N
InChIInChI=1S/C16H19ClFN3/c1-2-21-15(19)14(11-7-12(17)9-13(18)8-11)20-16(21)10-5-3-4-6-10/h7-10H,2-6,19H2,1H3
InChIKeyOPFROGUVHDELLG-UHFFFAOYSA-N
MW307.80 g/mol
LogP4.60
Rot. Bonds3

About 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine

5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine (PubChem CID 114454479) has the molecular formula C16H19ClFN3 and a molecular weight of 307.80 g/mol. Its IUPAC name is 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine
PubChem CID114454479
Molecular FormulaC16H19ClFN3
Molecular Weight307.80 g/mol
Exact Mass307.13
IUPAC Name5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine
SMILESCCn1c(C2CCCC2)nc(-c2cc(F)cc(Cl)c2)c1N
InChIInChI=1S/C16H19ClFN3/c1-2-21-15(19)14(11-7-12(17)9-13(18)8-11)20-16(21)10-5-3-4-6-10/h7-10H,2-6,19H2,1H3
InChIKeyOPFROGUVHDELLG-UHFFFAOYSA-N
XLogP4.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.80
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine?
The IUPAC name of 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine (CID 114454479) is 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine.
What is the SMILES notation for 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine?
The canonical SMILES for 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine is CCn1c(C2CCCC2)nc(-c2cc(F)cc(Cl)c2)c1N.
What is the InChIKey of 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine?
The InChIKey is OPFROGUVHDELLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClFN3/c1-2-21-15(19)14(11-7-12(17)9-13(18)8-11)20-16(21)10-5-3-4-6-10/h7-10H,2-6,19H2,1H3.
What are the key properties of 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine?
5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine has a molecular weight of 307.80 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-5-fluorophenyl)-2-cyclopentyl-3-ethylimidazol-4-amine is sourced from PubChem (CID 114454479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).