[5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol

C17H12BrClF2N2O2 — CID 66835454

IUPAC[5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)ncn2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C17H12BrClF2N2O2/c1-25-9-5-6-10(11(19)7-9)16(24)15-17(18)22-8-23(15)14-12(20)3-2-4-13(14)21/h2-8,16,24H,1H3
InChIKeyZKXAKCIEOKQWIZ-UHFFFAOYSA-N
MW429.65 g/mol
LogP4.66
Rot. Bonds4

About [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol

[5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66835454) has the molecular formula C17H12BrClF2N2O2 and a molecular weight of 429.65 g/mol. Its IUPAC name is [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66835454
Molecular FormulaC17H12BrClF2N2O2
Molecular Weight429.65 g/mol
Exact Mass427.97
IUPAC Name[5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)ncn2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C17H12BrClF2N2O2/c1-25-9-5-6-10(11(19)7-9)16(24)15-17(18)22-8-23(15)14-12(20)3-2-4-13(14)21/h2-8,16,24H,1H3
InChIKeyZKXAKCIEOKQWIZ-UHFFFAOYSA-N
XLogP4.66
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.65
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66835454) is [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(Br)ncn2-c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is ZKXAKCIEOKQWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClF2N2O2/c1-25-9-5-6-10(11(19)7-9)16(24)15-17(18)22-8-23(15)14-12(20)3-2-4-13(14)21/h2-8,16,24H,1H3.
What are the key properties of [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 429.65 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66835454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).