2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine

C18H16ClF3N4O — CID 172585614

IUPAC2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2C)cc1
InChIInChI=1S/C18H16ClF3N4O/c1-3-26-9-14(18(20,21)22)24-15(26)13-6-4-12(5-7-13)10-27-16-11(2)8-23-17(19)25-16/h4-9H,3,10H2,1-2H3
InChIKeyLPVQECIPBMVBMC-UHFFFAOYSA-N
MW396.80 g/mol
LogP4.92
Rot. Bonds5

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

2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine (PubChem CID 172585614) has the molecular formula C18H16ClF3N4O and a molecular weight of 396.80 g/mol. Its IUPAC name is 2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
PubChem CID172585614
Molecular FormulaC18H16ClF3N4O
Molecular Weight396.80 g/mol
Exact Mass396.10
IUPAC Name2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine
SMILESCCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2C)cc1
InChIInChI=1S/C18H16ClF3N4O/c1-3-26-9-14(18(20,21)22)24-15(26)13-6-4-12(5-7-13)10-27-16-11(2)8-23-17(19)25-16/h4-9H,3,10H2,1-2H3
InChIKeyLPVQECIPBMVBMC-UHFFFAOYSA-N
XLogP4.92
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.80
LogP ≤ 54.92
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-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine (CID 172585614) is 2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine is CCn1cc(C(F)(F)F)nc1-c1ccc(COc2nc(Cl)ncc2C)cc1.
What is the InChIKey of 2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine?
The InChIKey is LPVQECIPBMVBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF3N4O/c1-3-26-9-14(18(20,21)22)24-15(26)13-6-4-12(5-7-13)10-27-16-11(2)8-23-17(19)25-16/h4-9H,3,10H2,1-2H3.
What are the key properties of 2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine?
2-chloro-4-[[4-[1-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine has a molecular weight of 396.80 g/mol, XLogP of 4.92, 5 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-ethyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]-5-methylpyrimidine is sourced from PubChem (CID 172585614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).