5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole

C14H16N2 — CID 20536633

IUPAC5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole
SMILESCCc1ccc(C/C=C/c2cnc[nH]2)cc1
InChIInChI=1S/C14H16N2/c1-2-12-6-8-13(9-7-12)4-3-5-14-10-15-11-16-14/h3,5-11H,2,4H2,1H3,(H,15,16)/b5-3+
InChIKeyOTQXHIMAZVBRQC-HWKANZROSA-N
MW212.30 g/mol
LogP3.23
Rot. Bonds4

About 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole

5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole (PubChem CID 20536633) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole
PubChem CID20536633
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Name5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole
SMILESCCc1ccc(C/C=C/c2cnc[nH]2)cc1
InChIInChI=1S/C14H16N2/c1-2-12-6-8-13(9-7-12)4-3-5-14-10-15-11-16-14/h3,5-11H,2,4H2,1H3,(H,15,16)/b5-3+
InChIKeyOTQXHIMAZVBRQC-HWKANZROSA-N
XLogP3.23
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-hepta-1,3-dienyl-1H-imidazole
CID 137333497
molecular hydrogen;5-[(E)-prop-1-enyl]-1H-imidazole
CID 143539521
1-ethyl-4-[3-(4-methylphenyl)prop-1-enyl]benzene
CID 57014640
5-[4-(2,6-dichlorophenyl)but-1-enyl]-1H-imidazole
CID 54549887
(E)-N-ethyl-3-(1H-imidazol-5-yl)prop-2-enamide
CID 25129634
(Z)-3-(1H-imidazol-5-yl)prop-2-en-1-imine
CID 139321163
ethane;(E)-3-(1H-imidazol-5-yl)prop-2-enoic acid
CID 90887883
1-(1H-imidazol-5-yl)-N-propylmethanimine
CID 135966105
ethane;(E)-4-(1H-imidazol-5-yl)but-3-en-2-one
CID 91008820
5-(4-ethylphenyl)pent-3-en-1-amine
CID 79591021
5-[(E)-2-(3-fluorophenyl)ethenyl]-1H-imidazole
CID 131237486
3-(1H-imidazol-5-yl)-N-methylprop-2-enamide
CID 91343948

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole?
The IUPAC name of 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole (CID 20536633) is 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole.
What is the SMILES notation for 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole?
The canonical SMILES for 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole is CCc1ccc(C/C=C/c2cnc[nH]2)cc1.
What is the InChIKey of 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole?
The InChIKey is OTQXHIMAZVBRQC-HWKANZROSA-N. The full InChI is InChI=1S/C14H16N2/c1-2-12-6-8-13(9-7-12)4-3-5-14-10-15-11-16-14/h3,5-11H,2,4H2,1H3,(H,15,16)/b5-3+.
What are the key properties of 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole?
5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole has a molecular weight of 212.30 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-3-(4-ethylphenyl)prop-1-enyl]-1H-imidazole is sourced from PubChem (CID 20536633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).