1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine

C15H18BrN3 — CID 106566854

IUPAC1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(C)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3/c1-4-9-17-15-18-11(2)10-19(15)12(3)13-5-7-14(16)8-6-13/h4-8,10,12H,1,9H2,2-3H3,(H,17,18)
InChIKeySDTVYSHHDPDDKF-UHFFFAOYSA-N
MW320.23 g/mol
LogP4.16
Rot. Bonds5

About 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine

1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine (PubChem CID 106566854) has the molecular formula C15H18BrN3 and a molecular weight of 320.23 g/mol. Its IUPAC name is 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine.

Molecular Properties

Compound Name1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
PubChem CID106566854
Molecular FormulaC15H18BrN3
Molecular Weight320.23 g/mol
Exact Mass319.07
IUPAC Name1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
SMILESC=CCNc1nc(C)cn1C(C)c1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3/c1-4-9-17-15-18-11(2)10-19(15)12(3)13-5-7-14(16)8-6-13/h4-8,10,12H,1,9H2,2-3H3,(H,17,18)
InChIKeySDTVYSHHDPDDKF-UHFFFAOYSA-N
XLogP4.16
TPSA29.85 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 ≤ 54.16
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 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The IUPAC name of 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine (CID 106566854) is 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine.
What is the SMILES notation for 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The canonical SMILES for 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine is C=CCNc1nc(C)cn1C(C)c1ccc(Br)cc1.
What is the InChIKey of 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
The InChIKey is SDTVYSHHDPDDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3/c1-4-9-17-15-18-11(2)10-19(15)12(3)13-5-7-14(16)8-6-13/h4-8,10,12H,1,9H2,2-3H3,(H,17,18).
What are the key properties of 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine?
1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine has a molecular weight of 320.23 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-bromophenyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine is sourced from PubChem (CID 106566854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).