4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole

C22H20N2 — CID 167232170

IUPAC4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole
SMILESC=C/C=C\C=C(/C)c1nc(-c2ccccc2)[nH]c1-c1ccccc1
InChIInChI=1S/C22H20N2/c1-3-4-7-12-17(2)20-21(18-13-8-5-9-14-18)24-22(23-20)19-15-10-6-11-16-19/h3-16H,1H2,2H3,(H,23,24)/b7-4-,17-12+
InChIKeyUOPSZAFKFGXNTA-LUJAEEAZSA-N
MW312.42 g/mol
LogP5.89
Rot. Bonds5

About 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole

4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole (PubChem CID 167232170) has the molecular formula C22H20N2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole
PubChem CID167232170
Molecular FormulaC22H20N2
Molecular Weight312.42 g/mol
Exact Mass312.16
IUPAC Name4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole
SMILESC=C/C=C\C=C(/C)c1nc(-c2ccccc2)[nH]c1-c1ccccc1
InChIInChI=1S/C22H20N2/c1-3-4-7-12-17(2)20-21(18-13-8-5-9-14-18)24-22(23-20)19-15-10-6-11-16-19/h3-16H,1H2,2H3,(H,23,24)/b7-4-,17-12+
InChIKeyUOPSZAFKFGXNTA-LUJAEEAZSA-N
XLogP5.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.42
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole 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-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4-methyl-6-phenylpyrimidine
CID 137386271
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N,4-diphenylaniline
CID 88961504
2-[3-[(2E,4Z)-hepta-2,4,6-trien-2-yl]phenyl]pyridine
CID 88984684
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-phenylimidazol-1-yl]acetonitrile
CID 143009044
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
N-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-N-iodoaniline
CID 170206355
2-[(2E,4Z)-hexa-2,4-dien-2-yl]-3-phenylquinoxaline
CID 143718934
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-5-methylthiophene
CID 142216426
[(1E,3E,5Z)-3-methylocta-1,3,5,7-tetraenyl]benzene
CID 143083537
5-bromo-2,6-diphenyl-1H-pyrimidine-4-thione
CID 106478906

Frequently Asked Questions

What is the IUPAC name of 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole?
The IUPAC name of 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole (CID 167232170) is 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole.
What is the SMILES notation for 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole?
The canonical SMILES for 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole is C=C/C=C\C=C(/C)c1nc(-c2ccccc2)[nH]c1-c1ccccc1.
What is the InChIKey of 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole?
The InChIKey is UOPSZAFKFGXNTA-LUJAEEAZSA-N. The full InChI is InChI=1S/C22H20N2/c1-3-4-7-12-17(2)20-21(18-13-8-5-9-14-18)24-22(23-20)19-15-10-6-11-16-19/h3-16H,1H2,2H3,(H,23,24)/b7-4-,17-12+.
What are the key properties of 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole?
4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole has a molecular weight of 312.42 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-2,5-diphenyl-1H-imidazole is sourced from PubChem (CID 167232170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).