2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole

C21H21FN2 — CID 162282931

IUPAC2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole
SMILESC=CC=C(C=C)c1[nH]c(-c2ccc(F)cc2)nc1C(C=CC)=CC
InChIInChI=1S/C21H21FN2/c1-5-9-15(7-3)19-20(16(8-4)10-6-2)24-21(23-19)17-11-13-18(22)14-12-17/h5-14H,1,3H2,2,4H3,(H,23,24)
InChIKeyMPKVHTWNGVTEDQ-UHFFFAOYSA-N
MW320.41 g/mol
LogP5.95
Rot. Bonds6

About 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole

2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole (PubChem CID 162282931) has the molecular formula C21H21FN2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole
PubChem CID162282931
Molecular FormulaC21H21FN2
Molecular Weight320.41 g/mol
Exact Mass320.17
IUPAC Name2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole
SMILESC=CC=C(C=C)c1[nH]c(-c2ccc(F)cc2)nc1C(C=CC)=CC
InChIInChI=1S/C21H21FN2/c1-5-9-15(7-3)19-20(16(8-4)10-6-2)24-21(23-19)17-11-13-18(22)14-12-17/h5-14H,1,3H2,2,4H3,(H,23,24)
InChIKeyMPKVHTWNGVTEDQ-UHFFFAOYSA-N
XLogP5.95
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.41
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole?
The IUPAC name of 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole (CID 162282931) is 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole?
The canonical SMILES for 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole is C=CC=C(C=C)c1[nH]c(-c2ccc(F)cc2)nc1C(C=CC)=CC.
What is the InChIKey of 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole?
The InChIKey is MPKVHTWNGVTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2/c1-5-9-15(7-3)19-20(16(8-4)10-6-2)24-21(23-19)17-11-13-18(22)14-12-17/h5-14H,1,3H2,2,4H3,(H,23,24).
What are the key properties of 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole?
2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole has a molecular weight of 320.41 g/mol, XLogP of 5.95, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-hexa-2,4-dien-3-yl-5-hexa-1,3,5-trien-3-yl-1H-imidazole is sourced from PubChem (CID 162282931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).