2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine

C17H13Cl2F3N4O — CID 172585766

IUPAC2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
SMILESCc1nc(Cl)nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c1Cl
InChIInChI=1S/C17H13Cl2F3N4O/c1-9-13(18)15(25-16(19)23-9)27-8-10-3-5-11(6-4-10)14-24-12(7-26(14)2)17(20,21)22/h3-7H,8H2,1-2H3
InChIKeyCRKXPSPZVHUWHJ-UHFFFAOYSA-N
MW417.22 g/mol
LogP5.09
Rot. Bonds4

About 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine

2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine (PubChem CID 172585766) has the molecular formula C17H13Cl2F3N4O and a molecular weight of 417.22 g/mol. Its IUPAC name is 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine.

Molecular Properties

Compound Name2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
PubChem CID172585766
Molecular FormulaC17H13Cl2F3N4O
Molecular Weight417.22 g/mol
Exact Mass416.04
IUPAC Name2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine
SMILESCc1nc(Cl)nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c1Cl
InChIInChI=1S/C17H13Cl2F3N4O/c1-9-13(18)15(25-16(19)23-9)27-8-10-3-5-11(6-4-10)14-24-12(7-26(14)2)17(20,21)22/h3-7H,8H2,1-2H3
InChIKeyCRKXPSPZVHUWHJ-UHFFFAOYSA-N
XLogP5.09
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.22
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The IUPAC name of 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine (CID 172585766) is 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine.
What is the SMILES notation for 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The canonical SMILES for 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine is Cc1nc(Cl)nc(OCc2ccc(-c3nc(C(F)(F)F)cn3C)cc2)c1Cl.
What is the InChIKey of 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
The InChIKey is CRKXPSPZVHUWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2F3N4O/c1-9-13(18)15(25-16(19)23-9)27-8-10-3-5-11(6-4-10)14-24-12(7-26(14)2)17(20,21)22/h3-7H,8H2,1-2H3.
What are the key properties of 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine?
2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine has a molecular weight of 417.22 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methyl-6-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methoxy]pyrimidine is sourced from PubChem (CID 172585766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).