2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine

C16H19F2N3 — CID 62220431

IUPAC2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)(C)C)nc(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C16H19F2N3/c1-5-8-21-14(19)13(20-15(21)16(2,3)4)11-9-10(17)6-7-12(11)18/h5-7,9H,1,8,19H2,2-4H3
InChIKeyLVURMVOCWCONKC-UHFFFAOYSA-N
MW291.35 g/mol
LogP3.89
Rot. Bonds3

About 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine

2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 62220431) has the molecular formula C16H19F2N3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID62220431
Molecular FormulaC16H19F2N3
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)(C)C)nc(-c2cc(F)ccc2F)c1N
InChIInChI=1S/C16H19F2N3/c1-5-8-21-14(19)13(20-15(21)16(2,3)4)11-9-10(17)6-7-12(11)18/h5-7,9H,1,8,19H2,2-4H3
InChIKeyLVURMVOCWCONKC-UHFFFAOYSA-N
XLogP3.89
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-5-(2,5-difluorophenyl)-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
5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine
CID 81441356
2-tert-butyl-5-(2,5-difluorophenyl)-3-propan-2-ylimidazol-4-amine
CID 62219705
2-tert-butyl-5-(3,4-dichlorophenyl)-3-prop-2-enylimidazol-4-amine
CID 63468748
2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 83090080
5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine
CID 62223987
5-(2-fluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 53275761
2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 62218294
2-tert-butyl-5-(2-fluorophenyl)-3-prop-2-ynylimidazol-4-amine
CID 62220785
5-(3,4-difluorophenyl)-2-methyl-3-prop-2-enylimidazol-4-amine
CID 62225991
2-tert-butyl-5-(3-chloro-4-fluorophenyl)-3-ethylimidazol-4-amine
CID 81166343
2-tert-butyl-3-cyclopropyl-5-(2,4-difluorophenyl)imidazol-4-amine
CID 62219892

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine (CID 62220431) is 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C(C)(C)C)nc(-c2cc(F)ccc2F)c1N.
What is the InChIKey of 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is LVURMVOCWCONKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3/c1-5-8-21-14(19)13(20-15(21)16(2,3)4)11-9-10(17)6-7-12(11)18/h5-7,9H,1,8,19H2,2-4H3.
What are the key properties of 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine?
2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 291.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2,5-difluorophenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 62220431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).