2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine

C17H22FN3 — CID 63645348

IUPAC2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)(C)C)nc(-c2ccc(C)c(F)c2)c1N
InChIInChI=1S/C17H22FN3/c1-6-9-21-15(19)14(20-16(21)17(3,4)5)12-8-7-11(2)13(18)10-12/h6-8,10H,1,9,19H2,2-5H3
InChIKeyWEIOKCZFKLNIKX-UHFFFAOYSA-N
MW287.38 g/mol
LogP4.06
Rot. Bonds3

About 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine

2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine (PubChem CID 63645348) has the molecular formula C17H22FN3 and a molecular weight of 287.38 g/mol. Its IUPAC name is 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine
PubChem CID63645348
Molecular FormulaC17H22FN3
Molecular Weight287.38 g/mol
Exact Mass287.18
IUPAC Name2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine
SMILESC=CCn1c(C(C)(C)C)nc(-c2ccc(C)c(F)c2)c1N
InChIInChI=1S/C17H22FN3/c1-6-9-21-15(19)14(20-16(21)17(3,4)5)12-8-7-11(2)13(18)10-12/h6-8,10H,1,9,19H2,2-5H3
InChIKeyWEIOKCZFKLNIKX-UHFFFAOYSA-N
XLogP4.06
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(4-bromo-3-fluorophenyl)-2-tert-butyl-3-prop-2-enylimidazol-4-amine
CID 81441356
2-tert-butyl-5-(3,4-dichlorophenyl)-3-prop-2-enylimidazol-4-amine
CID 63468748
5-(3-fluoro-4-methylphenyl)-3-prop-2-enyl-2-propylimidazol-4-amine
CID 63645020
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
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-fluoro-4-methylphenyl)-2-methyl-3-(2-methylpropyl)imidazol-4-amine
CID 63647032
2-tert-butyl-5-(1,3-dimethylpyrazol-4-yl)-3-prop-2-enylimidazol-4-amine
CID 83090080
2-tert-butyl-3-ethyl-5-(4-fluorophenyl)imidazol-4-amine
CID 62218294
4-(3-fluoro-4-methylphenyl)-2-methylimidazole-1,5-diamine
CID 63645352
5-(4-bromo-3-methylphenyl)-2-tert-butyl-3-propylimidazol-4-amine
CID 66481274

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine (CID 63645348) is 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine is C=CCn1c(C(C)(C)C)nc(-c2ccc(C)c(F)c2)c1N.
What is the InChIKey of 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine?
The InChIKey is WEIOKCZFKLNIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3/c1-6-9-21-15(19)14(20-16(21)17(3,4)5)12-8-7-11(2)13(18)10-12/h6-8,10H,1,9,19H2,2-5H3.
What are the key properties of 2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine?
2-tert-butyl-5-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine has a molecular weight of 287.38 g/mol, XLogP of 4.06, 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-(3-fluoro-4-methylphenyl)-3-prop-2-enylimidazol-4-amine is sourced from PubChem (CID 63645348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).