1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole

C25H30N2O — CID 54189128

IUPAC1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole
SMILESCC(C)(C)c1ccc(C(CCn2ccnc2)OCC=Cc2ccccc2)cc1
InChIInChI=1S/C25H30N2O/c1-25(2,3)23-13-11-22(12-14-23)24(15-17-27-18-16-26-20-27)28-19-7-10-21-8-5-4-6-9-21/h4-14,16,18,20,24H,15,17,19H2,1-3H3
InChIKeyPHGIGYXFOCJKIR-UHFFFAOYSA-N
MW374.53 g/mol
LogP6.04
Rot. Bonds8

About 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole

1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole (PubChem CID 54189128) has the molecular formula C25H30N2O and a molecular weight of 374.53 g/mol. Its IUPAC name is 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole
PubChem CID54189128
Molecular FormulaC25H30N2O
Molecular Weight374.53 g/mol
Exact Mass374.24
IUPAC Name1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole
SMILESCC(C)(C)c1ccc(C(CCn2ccnc2)OCC=Cc2ccccc2)cc1
InChIInChI=1S/C25H30N2O/c1-25(2,3)23-13-11-22(12-14-23)24(15-17-27-18-16-26-20-27)28-19-7-10-21-8-5-4-6-9-21/h4-14,16,18,20,24H,15,17,19H2,1-3H3
InChIKeyPHGIGYXFOCJKIR-UHFFFAOYSA-N
XLogP6.04
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.53
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-3-(4-fluorophenyl)propyl]imidazole
CID 54296623
1-[2-(4-chlorophenyl)-2-[(E)-3-phenylprop-2-enoxy]ethyl]imidazole
CID 6476079
1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 24895544
1-[(E)-3-(4-tert-butylphenyl)prop-2-enyl]imidazole
CID 58624286
1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole
CID 59331953
1-(3-phenylprop-2-enyl)imidazole;hydrochloride
CID 174925347
1-[3-[3-(4-chlorophenyl)prop-2-enoxy]-4-(4-methylphenyl)butyl]imidazole
CID 54505880
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856
1-[(E)-2-dodecoxy-4-phenylbut-3-enyl]imidazole
CID 21415287
2-[4-[2-(3-imidazol-1-ylpropylamino)propan-2-yl]phenyl]pentanoic acid
CID 67612775
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
(3-imidazol-1-yl-1-phenylpropyl) 4-aminobenzoate
CID 56837881

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole?
The IUPAC name of 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole (CID 54189128) is 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole is CC(C)(C)c1ccc(C(CCn2ccnc2)OCC=Cc2ccccc2)cc1.
What is the InChIKey of 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole?
The InChIKey is PHGIGYXFOCJKIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O/c1-25(2,3)23-13-11-22(12-14-23)24(15-17-27-18-16-26-20-27)28-19-7-10-21-8-5-4-6-9-21/h4-14,16,18,20,24H,15,17,19H2,1-3H3.
What are the key properties of 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole?
1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole has a molecular weight of 374.53 g/mol, XLogP of 6.04, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-tert-butylphenyl)-3-(3-phenylprop-2-enoxy)propyl]imidazole is sourced from PubChem (CID 54189128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).