2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole

C22H21FN2 — CID 121391522

IUPAC2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole
SMILESC/C(=C\C=C(/C)c1ccccc1F)c1nc(-c2ccccc2)c(C)[nH]1
InChIInChI=1S/C22H21FN2/c1-15(19-11-7-8-12-20(19)23)13-14-16(2)22-24-17(3)21(25-22)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,24,25)/b15-13+,16-14+
InChIKeyMCTFDPUZPQANGQ-WXUKJITCSA-N
MW332.42 g/mol
LogP6.03
Rot. Bonds4

About 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole

2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole (PubChem CID 121391522) has the molecular formula C22H21FN2 and a molecular weight of 332.42 g/mol. Its IUPAC name is 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole
PubChem CID121391522
Molecular FormulaC22H21FN2
Molecular Weight332.42 g/mol
Exact Mass332.17
IUPAC Name2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole
SMILESC/C(=C\C=C(/C)c1ccccc1F)c1nc(-c2ccccc2)c(C)[nH]1
InChIInChI=1S/C22H21FN2/c1-15(19-11-7-8-12-20(19)23)13-14-16(2)22-24-17(3)21(25-22)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,24,25)/b15-13+,16-14+
InChIKeyMCTFDPUZPQANGQ-WXUKJITCSA-N
XLogP6.03
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.42
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole with MolForge

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Related Compounds

(E)-3-(2-fluorophenyl)but-2-enal
CID 90147584
1-(5-methyl-4-phenyl-1H-imidazol-2-yl)cyclopropan-1-amine
CID 65460042
1-[(E)-1-chloroprop-1-en-2-yl]-2-fluorobenzene
CID 118140779
ethane;2-[5-[(2E,4Z)-hexa-2,4-dien-2-yl]thiophen-2-yl]-5-methyl-4-phenyl-1H-imidazole
CID 145093244
N,N,5-trimethyl-4-phenyl-1H-imidazol-2-amine
CID 15621635
5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazole-2-carboxylic acid
CID 141349982
4-[2-(2-fluorophenyl)-5-methyl-1H-imidazol-4-yl]pyridine
CID 10060814
(5-methyl-4-phenyl-1H-imidazol-2-yl)methanamine
CID 43649240
2-(furan-2-yl)-5-methyl-4-phenyl-1H-imidazole
CID 73335465
3-(2-fluorophenyl)but-2-enenitrile
CID 76913879
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
3-(5-methyl-4-phenyl-1H-imidazol-2-yl)propanoic acid
CID 82474293

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The IUPAC name of 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole (CID 121391522) is 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The canonical SMILES for 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole is C/C(=C\C=C(/C)c1ccccc1F)c1nc(-c2ccccc2)c(C)[nH]1.
What is the InChIKey of 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole?
The InChIKey is MCTFDPUZPQANGQ-WXUKJITCSA-N. The full InChI is InChI=1S/C22H21FN2/c1-15(19-11-7-8-12-20(19)23)13-14-16(2)22-24-17(3)21(25-22)18-9-5-4-6-10-18/h4-14H,1-3H3,(H,24,25)/b15-13+,16-14+.
What are the key properties of 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole?
2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole has a molecular weight of 332.42 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-5-(2-fluorophenyl)hexa-2,4-dien-2-yl]-5-methyl-4-phenyl-1H-imidazole is sourced from PubChem (CID 121391522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).