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

C17H11BrCl2F2N2O2 — CID 66835323

IUPAC[5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)nc(Cl)n2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C17H11BrCl2F2N2O2/c1-26-8-5-6-9(10(19)7-8)15(25)14-16(18)23-17(20)24(14)13-11(21)3-2-4-12(13)22/h2-7,15,25H,1H3
InChIKeyAYRDKELBOSOBNX-UHFFFAOYSA-N
MW464.09 g/mol
LogP5.31
Rot. Bonds4

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

[5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (PubChem CID 66835323) has the molecular formula C17H11BrCl2F2N2O2 and a molecular weight of 464.09 g/mol. Its IUPAC name is [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name[5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
PubChem CID66835323
Molecular FormulaC17H11BrCl2F2N2O2
Molecular Weight464.09 g/mol
Exact Mass461.93
IUPAC Name[5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)c2c(Br)nc(Cl)n2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C17H11BrCl2F2N2O2/c1-26-8-5-6-9(10(19)7-8)15(25)14-16(18)23-17(20)24(14)13-11(21)3-2-4-12(13)22/h2-7,15,25H,1H3
InChIKeyAYRDKELBOSOBNX-UHFFFAOYSA-N
XLogP5.31
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.09
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(2,4-difluorophenyl)methanol
CID 66834827
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
(2-chloro-3-fluorophenyl)-(3-methoxyphenyl)methanol
CID 114976824
(4-bromo-2-methoxyphenyl)-(2-chloro-4-methoxyphenyl)methanol
CID 115369750
(3-bromo-4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanol
CID 103395113
[3-(2-bromo-4-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(2-chloro-4-fluorophenyl)methanol
CID 66835362
N-[(2-bromo-6-fluorophenyl)-(2-chloro-4-methoxyphenyl)methyl]ethanamine
CID 114558976
1-(2-chloro-6-fluorophenyl)-1-(2-chloro-4-methoxyphenyl)-N-methylmethanamine
CID 43561896
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
(2,4-dichlorophenyl)-(2,4-dimethoxyphenyl)methanol
CID 61087695
(2-fluoro-4-methoxyphenyl)-pyridazin-4-ylmethanol
CID 103397496

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The IUPAC name of [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol (CID 66835323) is [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol.
What is the SMILES notation for [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The canonical SMILES for [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is COc1ccc(C(O)c2c(Br)nc(Cl)n2-c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
The InChIKey is AYRDKELBOSOBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2F2N2O2/c1-26-8-5-6-9(10(19)7-8)15(25)14-16(18)23-17(20)24(14)13-11(21)3-2-4-12(13)22/h2-7,15,25H,1H3.
What are the key properties of [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol?
[5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol has a molecular weight of 464.09 g/mol, XLogP of 5.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-chloro-3-(2,6-difluorophenyl)imidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol is sourced from PubChem (CID 66835323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).