5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine

C16H19BrFN3 — CID 81441356

IUPAC5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)(C)C)nc(-c2ccc(Br)c(F)c2)c1N
InChIInChI=1S/C16H19BrFN3/c1-5-8-21-14(19)13(20-15(21)16(2,3)4)10-6-7-11(17)12(18)9-10/h5-7,9H,1,8,19H2,2-4H3
InChIKeyANDLDKNWDWGBPF-UHFFFAOYSA-N
MW352.25 g/mol
LogP4.52
Rot. Bonds3

About 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine

5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine (PubChem CID 81441356) has the molecular formula C16H19BrFN3 and a molecular weight of 352.25 g/mol. Its IUPAC name is 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine
PubChem CID81441356
Molecular FormulaC16H19BrFN3
Molecular Weight352.25 g/mol
Exact Mass351.07
IUPAC Name5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)(C)C)nc(-c2ccc(Br)c(F)c2)c1N
InChIInChI=1S/C16H19BrFN3/c1-5-8-21-14(19)13(20-15(21)16(2,3)4)10-6-7-11(17)12(18)9-10/h5-7,9H,1,8,19H2,2-4H3
InChIKeyANDLDKNWDWGBPF-UHFFFAOYSA-N
XLogP4.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-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

2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine
CID 63645348
2-tert-butyl-5-(3,4-dichlorophenyl)-3-prop-2-enylimidazol-4-amine
CID 63468748
2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 62220431
5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62225991
5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
CID 66481274
2-tert-butyl-3-ethyl-5-(3-fluoro-4-methoxyphenyl)imidazol-4-amine
CID 65096311
2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine
CID 81166343
5-(3-bromo-4-chlorophenyl)-2-tert-butyl-3-ethylimidazol-4-amine
CID 83229900
5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 63645020
2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 62218294
5-(4-bromophenyl)-2-tert-butyl-3-(2-methylpropyl)imidazol-4-amine
CID 63467658
2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 83090080

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine (CID 81441356) is 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine is C=CCn1c(C(C)(C)C)nc(-c2ccc(Br)c(F)c2)c1N.
What is the InChIKey of 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine?
The InChIKey is ANDLDKNWDWGBPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrFN3/c1-5-8-21-14(19)13(20-15(21)16(2,3)4)10-6-7-11(17)12(18)9-10/h5-7,9H,1,8,19H2,2-4H3.
What are the key properties of 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine?
5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine has a molecular weight of 352.25 g/mol, XLogP of 4.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 81441356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).