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Flutrimazole

C22H16F2N2 — CID 3401

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Data last refreshed: (MolForge compound catalog, from PubChem)

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 Flutrimazole

Flutrimazole (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 NameFlutrimazole
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

1-[(2-methoxyphenyl)-diphenylmethyl]imidazole
CID 54116392
4-chloro-3-[imidazol-1-yl(diphenyl)methyl]pyridine
CID 14046690
acetic acid;1-tritylimidazole
CID 67535266
1-[diphenyl-[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 5013174
1-[(4-chlorophenyl)-(4-fluorophenyl)-[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazole
CID 24745175
2-(2-fluorophenyl)-2-(4-fluorophenyl)-2-phenylacetonitrile
CID 24799665
1-(4-chlorophenoxy)-1-imidazol-1-yl-3,3-dimethylbutan-2-one;1-[(2-chlorophenyl)-diphenylmethyl]imidazole
CID 174936173
1-[2-(2-chlorophenyl)propan-2-yl]imidazole
CID 142193020
1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole
CID 123171054
1-[bis(4-fluorophenyl)-phenylmethyl]-2H-pyrazine
CID 143385251
[imidazol-1-yl(diphenyl)methyl]-methyl-prop-2-enylsilane
CID 173368026
1-[cyclohexa-1,5-dien-1-yl-[4-methyl-3-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-phenylmethyl]imidazole
CID 148729609

Frequently Asked Questions

What is the IUPAC name of Flutrimazole?
The IUPAC name of Flutrimazole (CID 3401) is 1-[(2-fluorophenyl)-(4-fluorophenyl)-phenylmethyl]imidazole.
What is the SMILES notation for Flutrimazole?
The canonical SMILES for Flutrimazole is Fc1ccc(C(c2ccccc2)(c2ccccc2F)n2ccnc2)cc1.
What is the InChIKey of Flutrimazole?
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 Flutrimazole?
Flutrimazole 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 Flutrimazole is sourced from PubChem (CID 3401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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