5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C12H13ClFN3 — CID 79498416

IUPAC5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFN3/c1-2-6-17-10(7-16-12(17)15)11-8(13)4-3-5-9(11)14/h2-5,10H,1,6-7H2,(H2,15,16)
InChIKeyDNSVLBGUARFKBU-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.34
Rot. Bonds3

About 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79498416) has the molecular formula C12H13ClFN3 and a molecular weight of 253.71 g/mol. Its IUPAC name is 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79498416
Molecular FormulaC12H13ClFN3
Molecular Weight253.71 g/mol
Exact Mass253.08
IUPAC Name5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1c(F)cccc1Cl
InChIInChI=1S/C12H13ClFN3/c1-2-6-17-10(7-16-12(17)15)11-8(13)4-3-5-9(11)14/h2-5,10H,1,6-7H2,(H2,15,16)
InChIKeyDNSVLBGUARFKBU-UHFFFAOYSA-N
XLogP2.34
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-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-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79498416) is 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1c1c(F)cccc1Cl.
What is the InChIKey of 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is DNSVLBGUARFKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFN3/c1-2-6-17-10(7-16-12(17)15)11-8(13)4-3-5-9(11)14/h2-5,10H,1,6-7H2,(H2,15,16).
What are the key properties of 5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-(2-chloro-6-fluorophenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 253.71 g/mol, XLogP of 2.34, 3 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)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).