1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol

C19H17F3N2O3 — CID 13127265

IUPAC1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESCOc1ccc(-c2nc(C(O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H17F3N2O3/c1-26-13-7-3-11(4-8-13)15-16(12-5-9-14(27-2)10-6-12)24-18(23-15)17(25)19(20,21)22/h3-10,17,25H,1-2H3,(H,23,24)
InChIKeyHPPRBRYZDDRMKD-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.36
Rot. Bonds5

About 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol

1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol (PubChem CID 13127265) has the molecular formula C19H17F3N2O3 and a molecular weight of 378.35 g/mol. Its IUPAC name is 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol
PubChem CID13127265
Molecular FormulaC19H17F3N2O3
Molecular Weight378.35 g/mol
Exact Mass378.12
IUPAC Name1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol
SMILESCOc1ccc(-c2nc(C(O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C19H17F3N2O3/c1-26-13-7-3-11(4-8-13)15-16(12-5-9-14(27-2)10-6-12)24-18(23-15)17(25)19(20,21)22/h3-10,17,25H,1-2H3,(H,23,24)
InChIKeyHPPRBRYZDDRMKD-UHFFFAOYSA-N
XLogP4.36
TPSA67.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-bis(4-methoxyphenyl)-2-pentan-3-yl-1H-imidazole
CID 57426311
4,5-bis(4-methoxyphenyl)-2-(trifluoromethyl)-1H-imidazole
CID 90189417
2-chloro-4,5-bis(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 13394256
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-(1H-indol-2-yl)methanethiol
CID 87836550
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727
2-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]ethanol
CID 20556887
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
4,5-bis(4-methoxyphenyl)-2-(2,3,4,5,6-pentafluorophenyl)sulfanyl-1H-imidazole
CID 12832380

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol?
The IUPAC name of 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol (CID 13127265) is 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol?
The canonical SMILES for 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol is COc1ccc(-c2nc(C(O)C(F)(F)F)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol?
The InChIKey is HPPRBRYZDDRMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N2O3/c1-26-13-7-3-11(4-8-13)15-16(12-5-9-14(27-2)10-6-12)24-18(23-15)17(25)19(20,21)22/h3-10,17,25H,1-2H3,(H,23,24).
What are the key properties of 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol?
1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol has a molecular weight of 378.35 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2,2,2-trifluoroethanol is sourced from PubChem (CID 13127265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).