5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine

C12H11BrClN3 — CID 83231149

IUPAC5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2ccc(Cl)c(Br)c2)c1N
InChIInChI=1S/C12H11BrClN3/c1-2-5-17-7-16-11(12(17)15)8-3-4-10(14)9(13)6-8/h2-4,6-7H,1,5,15H2
InChIKeyGMMJYYNUXXQVKN-UHFFFAOYSA-N
MW312.60 g/mol
LogP3.73
Rot. Bonds3

About 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine

5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 83231149) has the molecular formula C12H11BrClN3 and a molecular weight of 312.60 g/mol. Its IUPAC name is 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID83231149
Molecular FormulaC12H11BrClN3
Molecular Weight312.60 g/mol
Exact Mass310.98
IUPAC Name5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1cnc(-c2ccc(Cl)c(Br)c2)c1N
InChIInChI=1S/C12H11BrClN3/c1-2-5-17-7-16-11(12(17)15)8-3-4-10(14)9(13)6-8/h2-4,6-7H,1,5,15H2
InChIKeyGMMJYYNUXXQVKN-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.60
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxy-3-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 62226555
5-[4-(dimethylamino)phenyl]-3-prop-2-enylimidazol-4-amine
CID 62224158
5-(5-chloro-2-fluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 114859665
3-prop-2-enyl-5-pyridin-3-ylimidazol-4-amine
CID 62223980
5-(5-bromo-2-methoxyphenyl)-3-prop-2-enylimidazol-4-amine
CID 62224515
5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 62223987
4-(3,4-dichlorophenyl)imidazole-1,5-diamine
CID 62482755
3-(3-bromo-4-chlorophenyl)-1-methyl-4-pyridin-4-ylpyrazol-5-amine
CID 107988643
2-tert-butyl-5-(3,4-dichlorophenyl)-3-prop-2-enylimidazol-4-amine
CID 63468748
5-(3-bromo-4-chlorophenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 83230987
5-(3-bromo-4-chlorophenyl)-2-tert-butyl-3-ethylimidazol-4-amine
CID 83229900
5-(1,5-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 79584687

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine (CID 83231149) is 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1cnc(-c2ccc(Cl)c(Br)c2)c1N.
What is the InChIKey of 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is GMMJYYNUXXQVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3/c1-2-5-17-7-16-11(12(17)15)8-3-4-10(14)9(13)6-8/h2-4,6-7H,1,5,15H2.
What are the key properties of 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine?
5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 312.60 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromo-4-chlorophenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 83231149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).