1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine

C13H14BrN3 — CID 106555655

IUPAC1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(C)cc1Br
InChIInChI=1S/C13H14BrN3/c1-3-6-15-13-16-7-8-17(13)12-5-4-10(2)9-11(12)14/h3-5,7-9H,1,6H2,2H3,(H,15,16)
InChIKeyVIWAOUJMSZUUNY-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.54
Rot. Bonds4

About 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine

1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine (PubChem CID 106555655) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
PubChem CID106555655
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nccn1-c1ccc(C)cc1Br
InChIInChI=1S/C13H14BrN3/c1-3-6-15-13-16-7-8-17(13)12-5-4-10(2)9-11(12)14/h3-5,7-9H,1,6H2,2H3,(H,15,16)
InChIKeyVIWAOUJMSZUUNY-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.54
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

1-(2-bromo-5-methylphenyl)-N-ethylimidazol-2-amine
CID 106578943
1-(4-bromophenyl)-N-prop-2-enylimidazol-2-amine
CID 106558616
N-prop-2-enyl-1-(2,3,4-trifluorophenyl)imidazol-2-amine
CID 106556824
1-(2-bromo-4-methylphenyl)-N-phenylimidazol-2-amine
CID 106555620
1-(4-fluoro-2-iodophenyl)-N-prop-2-enylimidazol-2-amine
CID 106576416
1-(2-bromo-4-chlorophenyl)-N-ethylimidazol-2-amine
CID 106577581
1-(2-bromo-4-fluorophenyl)-N-ethylimidazol-2-amine
CID 106560730
N-prop-2-enyl-1-[2-(trifluoromethyl)phenyl]imidazol-2-amine
CID 106556180
1-(2-chloro-4-methylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106560885
1-(2-bromophenyl)-N-ethylimidazol-2-amine
CID 106558573
N-ethyl-1-(2-fluoro-5-methylphenyl)imidazol-2-amine
CID 106561073
1-(2-bromo-5-methylphenyl)-N-cyclopropylimidazol-2-amine
CID 106578937

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine (CID 106555655) is 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine is C=CCNc1nccn1-c1ccc(C)cc1Br.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine?
The InChIKey is VIWAOUJMSZUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c1-3-6-15-13-16-7-8-17(13)12-5-4-10(2)9-11(12)14/h3-5,7-9H,1,6H2,2H3,(H,15,16).
What are the key properties of 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine?
1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine has a molecular weight of 292.18 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106555655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).