[2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol

C19H17Cl2FN2O2 — CID 66835481

IUPAC[2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)16-11(2)23-19(21)24(16)17-14(20)5-4-6-15(17)22/h4-9,18,25H,1-3H3
InChIKeyHBIDMQKZGDYCGO-UHFFFAOYSA-N
MW395.26 g/mol
LogP5.03
Rot. Bonds4

About [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol

[2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (PubChem CID 66835481) has the molecular formula C19H17Cl2FN2O2 and a molecular weight of 395.26 g/mol. Its IUPAC name is [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.

Molecular Properties

Compound Name[2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
PubChem CID66835481
Molecular FormulaC19H17Cl2FN2O2
Molecular Weight395.26 g/mol
Exact Mass394.07
IUPAC Name[2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
SMILESCOc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2Cl)c(C)c1
InChIInChI=1S/C19H17Cl2FN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)16-11(2)23-19(21)24(16)17-14(20)5-4-6-15(17)22/h4-9,18,25H,1-3H3
InChIKeyHBIDMQKZGDYCGO-UHFFFAOYSA-N
XLogP5.03
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.26
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[3-(2-Chloro-6-fluorophenyl)-5-propan-2-yltriazol-4-yl]methoxy]-2-methylphenyl]ethanol
CID 66704139
[2-Chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66834825
4-bromo-2-chloro-alpha-(2-chloro-4-methoxyphenyl)-1-(2,6-difluorophenyl)-1H-imidazole-5-methanol
CID 66835323
[3-(2-Bromo-6-fluorophenyl)-2-chloro-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
CID 66835349
[2-Chloro-3-(2-chloro-4-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
CID 66835357
alpha-(2-chloro-4-methoxyphenyl)-1-(2,6-difluorophenyl)-1H-imidazole-5-methanol
CID 66835364
[5-Chloro-3-(2-chloro-4,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66835373
[2-Chloro-3-(2,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
CID 66835426
[5-Bromo-3-(2-chloro-6-fluorophenyl)-2-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol
CID 66835437
4-bromo-alpha-(2-chloro-4-methoxyphenyl)-1-(2,6-difluorophenyl)-1H-imidazole-5-methanol
CID 66835454
[2-Chloro-3-(2-chloro-4,6-difluorophenyl)-5-methylimidazol-4-yl]-(4-fluoro-2-methylphenyl)methanol
CID 66835463
[5-Chloro-3-(2,6-difluorophenyl)-2-methylimidazol-4-yl]-(2-chloro-4-methoxyphenyl)methanol
CID 66835523

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The IUPAC name of [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol (CID 66835481) is [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol.
What is the SMILES notation for [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The canonical SMILES for [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is COc1ccc(C(O)c2c(C)nc(Cl)n2-c2c(F)cccc2Cl)c(C)c1.
What is the InChIKey of [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
The InChIKey is HBIDMQKZGDYCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2FN2O2/c1-10-9-12(26-3)7-8-13(10)18(25)16-11(2)23-19(21)24(16)17-14(20)5-4-6-15(17)22/h4-9,18,25H,1-3H3.
What are the key properties of [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol?
[2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol has a molecular weight of 395.26 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-(2-chloro-6-fluorophenyl)-5-methylimidazol-4-yl]-(4-methoxy-2-methylphenyl)methanol is sourced from PubChem (CID 66835481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).