5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

C13H15ClFN3 — CID 79497464

IUPAC5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFN3/c1-3-6-18-12(16)17-8-13(18,2)9-4-5-11(15)10(14)7-9/h3-5,7H,1,6,8H2,2H3,(H2,16,17)
InChIKeyPNVPKPLUGRDPRO-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.51
Rot. Bonds3

About 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine

5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (PubChem CID 79497464) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
PubChem CID79497464
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1
InChIInChI=1S/C13H15ClFN3/c1-3-6-18-12(16)17-8-13(18,2)9-4-5-11(15)10(14)7-9/h3-5,7H,1,6,8H2,2H3,(H2,16,17)
InChIKeyPNVPKPLUGRDPRO-UHFFFAOYSA-N
XLogP2.51
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.51
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-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The IUPAC name of 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine (CID 79497464) is 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The canonical SMILES for 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)c1ccc(F)c(Cl)c1.
What is the InChIKey of 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
The InChIKey is PNVPKPLUGRDPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-3-6-18-12(16)17-8-13(18,2)9-4-5-11(15)10(14)7-9/h3-5,7H,1,6,8H2,2H3,(H2,16,17).
What are the key properties of 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine?
5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine has a molecular weight of 267.74 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-fluorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine is sourced from PubChem (CID 79497464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).