5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine

C15H18BrN3 — CID 62218720

IUPAC5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2cccc(Br)c2)c1N
InChIInChI=1S/C15H18BrN3/c1-3-6-13-18-14(15(17)19(13)9-4-2)11-7-5-8-12(16)10-11/h4-5,7-8,10H,2-3,6,9,17H2,1H3
InChIKeyGJAMKOUDSIEDOO-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.03
Rot. Bonds5

About 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine

5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine (PubChem CID 62218720) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine.

Molecular Properties

Compound Name5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
PubChem CID62218720
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
SMILESC=CCn1c(CCC)nc(-c2cccc(Br)c2)c1N
InChIInChI=1S/C15H18BrN3/c1-3-6-13-18-14(15(17)19(13)9-4-2)11-7-5-8-12(16)10-11/h4-5,7-8,10H,2-3,6,9,17H2,1H3
InChIKeyGJAMKOUDSIEDOO-UHFFFAOYSA-N
XLogP4.03
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.23
LogP ≤ 54.03
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-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The IUPAC name of 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine (CID 62218720) is 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine.
What is the SMILES notation for 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The canonical SMILES for 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine is C=CCn1c(CCC)nc(-c2cccc(Br)c2)c1N.
What is the InChIKey of 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
The InChIKey is GJAMKOUDSIEDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-3-6-13-18-14(15(17)19(13)9-4-2)11-7-5-8-12(16)10-11/h4-5,7-8,10H,2-3,6,9,17H2,1H3.
What are the key properties of 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine?
5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine has a molecular weight of 320.23 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-3-prop-2-enyl-2-propylimidazol-4-amine is sourced from PubChem (CID 62218720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).