1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole

C22H16F2N2 — CID 3401

IUPAC1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole
SMILESFc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1
InChIInChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H
InChIKeyQHMWCHQXCUNUAK-UHFFFAOYSA-N
MW346.38 g/mol
LogP5.00
Rot. Bonds4

About 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole

1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole (PubChem CID 3401) has the molecular formula C22H16F2N2 and a molecular weight of 346.38 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole.

Molecular Properties

Compound Name1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole
PubChem CID3401
Molecular FormulaC22H16F2N2
Molecular Weight346.38 g/mol
Exact Mass346.13
IUPAC Name1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole
SMILESFc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1
InChIInChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H
InChIKeyQHMWCHQXCUNUAK-UHFFFAOYSA-N
XLogP5.00
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.38
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

Clotrimazole
CID 2812
Bifonazole
CID 2378
1-Benzylimidazole
CID 77918
1H-Imidazole, 2-methyl-1-(phenylmethyl)-
CID 83699
1-Benzyl-3-methylimidazolium Chloride
CID 10560335
1-Benzyl-3-cetyl-2-methylimidazolium iodide
CID 10436839
Dechloroclotrimazole
CID 618231
Efetozole
CID 208911
1-(biphenyl-4-ylmethyl)-1H-imidazole
CID 12229396
1-(1-Biphenyl-4-yl-2-phenyl-ethyl)-1H-imidazole
CID 13416469
1-(4-iodobenzyl)-1H-imidazole
CID 15984072
1H-Imidazole, 1-(2-naphthalenylmethyl)-
CID 186582

Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole?
The IUPAC name of 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole (CID 3401) is 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole.
What is the SMILES notation for 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole?
The canonical SMILES for 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole is Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1.
What is the InChIKey of 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole?
The InChIKey is QHMWCHQXCUNUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2/c23-19-12-10-18(11-13-19)22(26-15-14-25-16-26,17-6-2-1-3-7-17)20-8-4-5-9-21(20)24/h1-16H.
What are the key properties of 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole?
1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole has a molecular weight of 346.38 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole is sourced from PubChem (CID 3401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).