[4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol

C16H9Cl2F3N2O — CID 123676797

IUPAC[4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1Cl)c1[nH]c(-c2c(F)cccc2F)nc1Cl
InChIInChI=1S/C16H9Cl2F3N2O/c17-9-6-7(19)4-5-8(9)14(24)13-15(18)23-16(22-13)12-10(20)2-1-3-11(12)21/h1-6,14,24H,(H,22,23)
InChIKeyZEVXVRCBUHCVHS-UHFFFAOYSA-N
MW373.16 g/mol
LogP4.88
Rot. Bonds3

About [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol

[4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol (PubChem CID 123676797) has the molecular formula C16H9Cl2F3N2O and a molecular weight of 373.16 g/mol. Its IUPAC name is [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol.

Molecular Properties

Compound Name[4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol
PubChem CID123676797
Molecular FormulaC16H9Cl2F3N2O
Molecular Weight373.16 g/mol
Exact Mass372.00
IUPAC Name[4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol
SMILESOC(c1ccc(F)cc1Cl)c1[nH]c(-c2c(F)cccc2F)nc1Cl
InChIInChI=1S/C16H9Cl2F3N2O/c17-9-6-7(19)4-5-8(9)14(24)13-15(18)23-16(22-13)12-10(20)2-1-3-11(12)21/h1-6,14,24H,(H,22,23)
InChIKeyZEVXVRCBUHCVHS-UHFFFAOYSA-N
XLogP4.88
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.16
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol?
The IUPAC name of [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol (CID 123676797) is [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol.
What is the SMILES notation for [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol?
The canonical SMILES for [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol is OC(c1ccc(F)cc1Cl)c1[nH]c(-c2c(F)cccc2F)nc1Cl.
What is the InChIKey of [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol?
The InChIKey is ZEVXVRCBUHCVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2F3N2O/c17-9-6-7(19)4-5-8(9)14(24)13-15(18)23-16(22-13)12-10(20)2-1-3-11(12)21/h1-6,14,24H,(H,22,23).
What are the key properties of [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol?
[4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol has a molecular weight of 373.16 g/mol, XLogP of 4.88, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-fluorophenyl)methanol is sourced from PubChem (CID 123676797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).