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

C14H15ClFN3 — CID 114859682

IUPAC5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2ccc(Cl)cc2F)c(N)n1C1CC1
InChIInChI=1S/C14H15ClFN3/c1-2-12-18-13(14(17)19(12)9-4-5-9)10-6-3-8(15)7-11(10)16/h3,6-7,9H,2,4-5,17H2,1H3
InChIKeyQQYXFHWAJKZIHK-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.82
Rot. Bonds3

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

5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine (PubChem CID 114859682) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine
PubChem CID114859682
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2ccc(Cl)cc2F)c(N)n1C1CC1
InChIInChI=1S/C14H15ClFN3/c1-2-12-18-13(14(17)19(12)9-4-5-9)10-6-3-8(15)7-11(10)16/h3,6-7,9H,2,4-5,17H2,1H3
InChIKeyQQYXFHWAJKZIHK-UHFFFAOYSA-N
XLogP3.82
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine?
The IUPAC name of 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine (CID 114859682) is 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine.
What is the SMILES notation for 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine?
The canonical SMILES for 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine is CCc1nc(-c2ccc(Cl)cc2F)c(N)n1C1CC1.
What is the InChIKey of 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine?
The InChIKey is QQYXFHWAJKZIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-12-18-13(14(17)19(12)9-4-5-9)10-6-3-8(15)7-11(10)16/h3,6-7,9H,2,4-5,17H2,1H3.
What are the key properties of 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine?
5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine has a molecular weight of 279.75 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluorophenyl)-3-cyclopropyl-2-ethylimidazol-4-amine is sourced from PubChem (CID 114859682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).