1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole

C16H20N2 — CID 58624286

IUPAC1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
SMILESCC(C)(C)c1ccc(/C=C/Cn2ccnc2)cc1
InChIInChI=1S/C16H20N2/c1-16(2,3)15-8-6-14(7-9-15)5-4-11-18-12-10-17-13-18/h4-10,12-13H,11H2,1-3H3/b5-4+
InChIKeyFYLSXOYVKARQIZ-SNAWJCMRSA-N
MW240.35 g/mol
LogP3.89
Rot. Bonds3

About 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole

1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole (PubChem CID 58624286) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole.

Molecular Properties

Compound Name1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
PubChem CID58624286
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
SMILESCC(C)(C)c1ccc(/C=C/Cn2ccnc2)cc1
InChIInChI=1S/C16H20N2/c1-16(2,3)15-8-6-14(7-9-15)5-4-11-18-12-10-17-13-18/h4-10,12-13H,11H2,1-3H3/b5-4+
InChIKeyFYLSXOYVKARQIZ-SNAWJCMRSA-N
XLogP3.89
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(E)-3-(4-methylphenyl)prop-2-enyl]imidazole
CID 56648448
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole
CID 54189128
1-[(Z)-but-2-enyl]imidazole
CID 45087139
N-[2-(4-tert-butylphenyl)-2-methylpropyl]-2-imidazol-1-ylethanesulfonamide
CID 166360372
(E)-4-[4-(imidazol-1-ylmethyl)phenyl]but-3-en-1-ol
CID 70049349
1-(3-bromoprop-1-enyl)-4-tert-butylbenzene
CID 79323485
1-(3-fluoroprop-2-enyl)imidazole
CID 175465451
1,4-bis[(Z)-2-(4-tert-butylphenyl)ethenyl]benzene
CID 102332044
1-(4-tert-butylphenyl)-3-imidazol-1-ylpropan-2-one
CID 20518906
2-[(E)-3-imidazol-1-ylprop-1-enyl]quinoline
CID 18467017
1-[3-(4-tert-butylphenyl)sulfanyl-2-chloropropyl]imidazole
CID 23311306

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole?
The IUPAC name of 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole (CID 58624286) is 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole.
What is the SMILES notation for 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole?
The canonical SMILES for 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole is CC(C)(C)c1ccc(/C=C/Cn2ccnc2)cc1.
What is the InChIKey of 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole?
The InChIKey is FYLSXOYVKARQIZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C16H20N2/c1-16(2,3)15-8-6-14(7-9-15)5-4-11-18-12-10-17-13-18/h4-10,12-13H,11H2,1-3H3/b5-4+.
What are the key properties of 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole?
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole has a molecular weight of 240.35 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole is sourced from PubChem (CID 58624286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).