1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine

C12H12BrN3 — CID 106558616

IUPAC1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3/c1-2-7-14-12-15-8-9-16(12)11-5-3-10(13)4-6-11/h2-6,8-9H,1,7H2,(H,14,15)
InChIKeyDJSZEOPRKPAWTG-UHFFFAOYSA-N
MW278.15 g/mol
LogP3.23
Rot. Bonds4

About 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine

1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106558616) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106558616
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(Br)cc1
InChIInChI=1S/C12H12BrN3/c1-2-7-14-12-15-8-9-16(12)11-5-3-10(13)4-6-11/h2-6,8-9H,1,7H2,(H,14,15)
InChIKeyDJSZEOPRKPAWTG-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4-bromophenyl)-N-prop-2-enylimidazol-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

Related Compounds

1-(4-morpholin-4-ylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106571459
1-(4-bromophenyl)-N-methylimidazol-2-amine
CID 106558582
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
CID 106555655
N-[(4-bromophenyl)methyl]-1-phenylimidazol-2-amine
CID 106560530
1-(4-bromophenyl)-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558600
N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556824
N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556180
1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
CID 106576416
N-ethyl-1-(4-methylsulfanylphenyl)imidazol-2-amine
CID 106556634
1-(2,3-dimethylbutyl)-N-prop-2-enylimidazol-2-amine
CID 106575242
1-(2-methoxy-2-methylpropyl)-N-prop-2-enylimidazol-2-amine
CID 106581296
5-(4-bromophenyl)-13-(prop-2-enylamino)-8-thia-3,5,10,12-tetrazatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,9,11-pentaen-6-one
CID 23634323

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine (CID 106558616) is 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is DJSZEOPRKPAWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c1-2-7-14-12-15-8-9-16(12)11-5-3-10(13)4-6-11/h2-6,8-9H,1,7H2,(H,14,15).
What are the key properties of 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine?
1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 278.15 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106558616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).