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Miconazole

C18H14Cl4N2O — CID 4189

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

IUPAC1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
SMILESClc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
InChIKeyBYBLEWFAAKGYCD-UHFFFAOYSA-N
MW416.14 g/mol
LogP6.45
Rot. Bonds6

About Miconazole

Miconazole (PubChem CID 4189) has the molecular formula C18H14Cl4N2O and a molecular weight of 416.14 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole.

Molecular Properties

Compound NameMiconazole
PubChem CID4189
Molecular FormulaC18H14Cl4N2O
Molecular Weight416.14 g/mol
Exact Mass413.99
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole
SMILESClc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1
InChIInChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2
InChIKeyBYBLEWFAAKGYCD-UHFFFAOYSA-N
XLogP6.45
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.14
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Econazole
CID 3198
Tioconazole
CID 5482
Oxiconazole
CID 5353853
Isoconazole
CID 3760
Calmidazolium
CID 2531

Frequently Asked Questions

What is the IUPAC name of Miconazole?
The IUPAC name of Miconazole (CID 4189) is 1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole.
What is the SMILES notation for Miconazole?
The canonical SMILES for Miconazole is Clc1ccc(COC(Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1.
What is the InChIKey of Miconazole?
The InChIKey is BYBLEWFAAKGYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl4N2O/c19-13-2-1-12(16(21)7-13)10-25-18(9-24-6-5-23-11-24)15-4-3-14(20)8-17(15)22/h1-8,11,18H,9-10H2.
What are the key properties of Miconazole?
Miconazole has a molecular weight of 416.14 g/mol, XLogP of 6.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Miconazole is sourced from PubChem (CID 4189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

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For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.