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

C17H14ClF3N4O — CID 172585932

IUPAC2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
SMILESCc1cnc(Cl)nc1OCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C17H14ClF3N4O/c1-10-7-22-16(18)24-15(10)26-9-11-3-5-12(6-4-11)14-23-13(8-25(14)2)17(19,20)21/h3-8H,9H2,1-2H3
InChIKeyYIEKGDHVCCNPFN-UHFFFAOYSA-N
MW382.77 g/mol
LogP4.44
Rot. Bonds4

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

2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine (PubChem CID 172585932) has the molecular formula C17H14ClF3N4O and a molecular weight of 382.77 g/mol. Its IUPAC name is 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine.

Molecular Properties

Compound Name2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
PubChem CID172585932
Molecular FormulaC17H14ClF3N4O
Molecular Weight382.77 g/mol
Exact Mass382.08
IUPAC Name2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
SMILESCc1cnc(Cl)nc1OCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1
InChIInChI=1S/C17H14ClF3N4O/c1-10-7-22-16(18)24-15(10)26-9-11-3-5-12(6-4-11)14-23-13(8-25(14)2)17(19,20)21/h3-8H,9H2,1-2H3
InChIKeyYIEKGDHVCCNPFN-UHFFFAOYSA-N
XLogP4.44
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.77
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-(trifluoromethyl)pyrimidine
CID 172585539
2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
CID 172585614
2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
CID 172585766
4-[2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidin-5-yl]-1,2-thiazole
CID 172586515
5-chloro-2-methyl-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrazolo[4,3-d]pyrimidine
CID 172584138
2,8-dichloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purine
CID 166094820
2-chloro-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-6,7-dihydro-5H-pteridine
CID 170707534
tert-butyl 2-chloro-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 172584186
2-chloro-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7,8-dihydropurine
CID 162572422
2-chloro-5-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]pyridine
CID 71319129
2-chloro-7-methyl-8-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5,7-dihydropteridin-6-one
CID 165401012
5-chloro-7-[[3-fluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-[1,3]thiazolo[5,4-d]pyrimidine
CID 172584718

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The IUPAC name of 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine (CID 172585932) is 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine.
What is the SMILES notation for 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The canonical SMILES for 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine is Cc1cnc(Cl)nc1OCc1ccc(-c2nc(C(F)(F)F)cn2C)cc1.
What is the InChIKey of 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The InChIKey is YIEKGDHVCCNPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF3N4O/c1-10-7-22-16(18)24-15(10)26-9-11-3-5-12(6-4-11)14-23-13(8-25(14)2)17(19,20)21/h3-8H,9H2,1-2H3.
What are the key properties of 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine has a molecular weight of 382.77 g/mol, XLogP of 4.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methyl-4-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine is sourced from PubChem (CID 172585932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).