5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine

C12H11ClFN3 — CID 114859665

IUPAC5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc(Cl)ccc2F)c1N
InChIInChI=1S/C12H11ClFN3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2
InChIKeyBZLCJVYDZRRURL-UHFFFAOYSA-N
MW251.69 g/mol
LogP3.11
Rot. Bonds3

About 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine

5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 114859665) has the molecular formula C12H11ClFN3 and a molecular weight of 251.69 g/mol. Its IUPAC name is 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID114859665
Molecular FormulaC12H11ClFN3
Molecular Weight251.69 g/mol
Exact Mass251.06
IUPAC Name5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2cc(Cl)ccc2F)c1N
InChIInChI=1S/C12H11ClFN3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2
InChIKeyBZLCJVYDZRRURL-UHFFFAOYSA-N
XLogP3.11
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.69
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine (CID 114859665) is 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1cnc(-c2cc(Cl)ccc2F)c1N.
What is the InChIKey of 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is BZLCJVYDZRRURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3/c1-2-5-17-7-16-11(12(17)15)9-6-8(13)3-4-10(9)14/h2-4,6-7H,1,5,15H2.
What are the key properties of 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine?
5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 251.69 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 114859665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).