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

C17H13ClF2N2O2 — CID 66835364

IUPAC(2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol
SMILESCOc1ccc(C(O)c2cncn2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C17H13ClF2N2O2/c1-24-10-5-6-11(12(18)7-10)17(23)15-8-21-9-22(15)16-13(19)3-2-4-14(16)20/h2-9,17,23H,1H3
InChIKeyYHMFBSRUZYHWDQ-UHFFFAOYSA-N
MW350.75 g/mol
LogP3.89
Rot. Bonds4

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

(2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol (PubChem CID 66835364) has the molecular formula C17H13ClF2N2O2 and a molecular weight of 350.75 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol
PubChem CID66835364
Molecular FormulaC17H13ClF2N2O2
Molecular Weight350.75 g/mol
Exact Mass350.06
IUPAC Name(2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol
SMILESCOc1ccc(C(O)c2cncn2-c2c(F)cccc2F)c(Cl)c1
InChIInChI=1S/C17H13ClF2N2O2/c1-24-10-5-6-11(12(18)7-10)17(23)15-8-21-9-22(15)16-13(19)3-2-4-14(16)20/h2-9,17,23H,1H3
InChIKeyYHMFBSRUZYHWDQ-UHFFFAOYSA-N
XLogP3.89
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol?
The IUPAC name of (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol (CID 66835364) is (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol is COc1ccc(C(O)c2cncn2-c2c(F)cccc2F)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol?
The InChIKey is YHMFBSRUZYHWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF2N2O2/c1-24-10-5-6-11(12(18)7-10)17(23)15-8-21-9-22(15)16-13(19)3-2-4-14(16)20/h2-9,17,23H,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol?
(2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol has a molecular weight of 350.75 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-[3-(2,6-difluorophenyl)imidazol-4-yl]methanol is sourced from PubChem (CID 66835364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).