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'}

Analyze 1-[1-(4-bromophenyl)ethyl]-4-methyl-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

4-methyl-1-pentan-2-yl-N-prop-2-enylimidazol-2-amine
CID 106555821
4-methyl-1-(1-methylsulfinylpropan-2-yl)-N-prop-2-enylimidazol-2-amine
CID 106580475
N-ethyl-1-[1-(4-methoxyphenyl)ethyl]-4-methylimidazol-2-amine
CID 106576296
1-[1-(diethylamino)propan-2-yl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106566325
1-[1-(4-chlorophenyl)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106565811
N-(2-methoxyethyl)-4-methyl-1-[1-(4-methylphenyl)ethyl]imidazol-2-amine
CID 106567280
N-butyl-1-[1-(4-fluorophenyl)ethyl]-4-methylimidazol-2-amine
CID 106564834
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106557756
1-(3-bromo-5-methoxyphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 106579335
4-methyl-N-prop-2-enyl-1-[1-(1,3-thiazol-2-yl)propyl]imidazol-2-amine
CID 106574986
1-(4-bromo-3,5-dimethylphenyl)-4-methyl-N-prop-2-enylimidazol-2-amine
CID 107581499
4-methyl-1-(4-methylpentyl)-N-prop-2-enylimidazol-2-amine
CID 106572182

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).