2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine

C17H11ClF6N4O — CID 172585539

IUPAC2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2C(F)(F)F)cc1
InChIInChI=1S/C17H11ClF6N4O/c1-28-7-12(17(22,23)24)26-13(28)10-4-2-9(3-5-10)8-29-14-11(16(19,20)21)6-25-15(18)27-14/h2-7H,8H2,1H3
InChIKeyANZICLXSESTJBU-UHFFFAOYSA-N
MW436.74 g/mol
LogP5.15
Rot. Bonds4

About 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine

2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine (PubChem CID 172585539) has the molecular formula C17H11ClF6N4O and a molecular weight of 436.74 g/mol. Its IUPAC name is 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine
PubChem CID172585539
Molecular FormulaC17H11ClF6N4O
Molecular Weight436.74 g/mol
Exact Mass436.05
IUPAC Name2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine
SMILESCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2C(F)(F)F)cc1
InChIInChI=1S/C17H11ClF6N4O/c1-28-7-12(17(22,23)24)26-13(28)10-4-2-9(3-5-10)8-29-14-11(16(19,20)21)6-25-15(18)27-14/h2-7H,8H2,1H3
InChIKeyANZICLXSESTJBU-UHFFFAOYSA-N
XLogP5.15
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.74
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine (CID 172585539) is 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine is Cn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2C(F)(F)F)cc1.
What is the InChIKey of 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine?
The InChIKey is ANZICLXSESTJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClF6N4O/c1-28-7-12(17(22,23)24)26-13(28)10-4-2-9(3-5-10)8-29-14-11(16(19,20)21)6-25-15(18)27-14/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine?
2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine has a molecular weight of 436.74 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 172585539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).