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

C17H12BrClF2N2O2 — CID 123808788

IUPAC[4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2[nH]c(-c3c(F)cccc3F)nc2Br)c(Cl)c1
InChIInChI=1S/C17H12BrClF2N2O2/c1-25-8-5-6-9(10(19)7-8)15(24)14-16(18)23-17(22-14)13-11(20)3-2-4-12(13)21/h2-7,15,24H,1H3,(H,22,23)
InChIKeyGLRHNVREXXBIGK-UHFFFAOYSA-N
MW429.65 g/mol
LogP4.86
Rot. Bonds4

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

[4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 123808788) has the molecular formula C17H12BrClF2N2O2 and a molecular weight of 429.65 g/mol. Its IUPAC name is [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID123808788
Molecular FormulaC17H12BrClF2N2O2
Molecular Weight429.65 g/mol
Exact Mass427.97
IUPAC Name[4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2[nH]c(-c3c(F)cccc3F)nc2Br)c(Cl)c1
InChIInChI=1S/C17H12BrClF2N2O2/c1-25-8-5-6-9(10(19)7-8)15(24)14-16(18)23-17(22-14)13-11(20)3-2-4-12(13)21/h2-7,15,24H,1H3,(H,22,23)
InChIKeyGLRHNVREXXBIGK-UHFFFAOYSA-N
XLogP4.86
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.65
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 123808788) is [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2[nH]c(-c3c(F)cccc3F)nc2Br)c(Cl)c1.
What is the InChIKey of [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is GLRHNVREXXBIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClF2N2O2/c1-25-8-5-6-9(10(19)7-8)15(24)14-16(18)23-17(22-14)13-11(20)3-2-4-12(13)21/h2-7,15,24H,1H3,(H,22,23).
What are the key properties of [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol?
[4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 429.65 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-2-(2,6-difluorophenyl)-1H-imidazol-5-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 123808788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).