2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol

C18H15BrF2N2O — CID 59251269

IUPAC2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(Br)cc2)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H15BrF2N2O/c1-18(2,24)15-10-23(12-8-6-11(19)7-9-12)17(22-15)16-13(20)4-3-5-14(16)21/h3-10,24H,1-2H3
InChIKeyJJDDTUWFDVXZSA-UHFFFAOYSA-N
MW393.23 g/mol
LogP4.81
Rot. Bonds3

About 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol

2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol (PubChem CID 59251269) has the molecular formula C18H15BrF2N2O and a molecular weight of 393.23 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol
PubChem CID59251269
Molecular FormulaC18H15BrF2N2O
Molecular Weight393.23 g/mol
Exact Mass392.03
IUPAC Name2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol
SMILESCC(C)(O)c1cn(-c2ccc(Br)cc2)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C18H15BrF2N2O/c1-18(2,24)15-10-23(12-8-6-11(19)7-9-12)17(22-15)16-13(20)4-3-5-14(16)21/h3-10,24H,1-2H3
InChIKeyJJDDTUWFDVXZSA-UHFFFAOYSA-N
XLogP4.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.23
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol?
The IUPAC name of 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol (CID 59251269) is 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol is CC(C)(O)c1cn(-c2ccc(Br)cc2)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol?
The InChIKey is JJDDTUWFDVXZSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF2N2O/c1-18(2,24)15-10-23(12-8-6-11(19)7-9-12)17(22-15)16-13(20)4-3-5-14(16)21/h3-10,24H,1-2H3.
What are the key properties of 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol?
2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol has a molecular weight of 393.23 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)-2-(2,6-difluorophenyl)imidazol-4-yl]propan-2-ol is sourced from PubChem (CID 59251269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).