5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

C15H10Cl2F3N5 — CID 177117738

IUPAC5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnc1Cl
InChIInChI=1S/C15H10Cl2F3N5/c1-8-2-9(3-23-13(8)17)14-24-11(15(18,19)20)6-25(14)7-12-21-4-10(16)5-22-12/h2-6H,7H2,1H3
InChIKeyGQAGQCJUICOHIM-UHFFFAOYSA-N
MW388.18 g/mol
LogP4.42
Rot. Bonds3

About 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine

5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (PubChem CID 177117738) has the molecular formula C15H10Cl2F3N5 and a molecular weight of 388.18 g/mol. Its IUPAC name is 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
PubChem CID177117738
Molecular FormulaC15H10Cl2F3N5
Molecular Weight388.18 g/mol
Exact Mass387.03
IUPAC Name5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine
SMILESCc1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnc1Cl
InChIInChI=1S/C15H10Cl2F3N5/c1-8-2-9(3-23-13(8)17)14-24-11(15(18,19)20)6-25(14)7-12-21-4-10(16)5-22-12/h2-6H,7H2,1H3
InChIKeyGQAGQCJUICOHIM-UHFFFAOYSA-N
XLogP4.42
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.18
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The IUPAC name of 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine (CID 177117738) is 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The canonical SMILES for 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is Cc1cc(-c2nc(C(F)(F)F)cn2Cc2ncc(Cl)cn2)cnc1Cl.
What is the InChIKey of 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
The InChIKey is GQAGQCJUICOHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F3N5/c1-8-2-9(3-23-13(8)17)14-24-11(15(18,19)20)6-25(14)7-12-21-4-10(16)5-22-12/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine?
5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine has a molecular weight of 388.18 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[2-(6-chloro-5-methyl-3-pyridinyl)-4-(trifluoromethyl)imidazol-1-yl]methyl]pyrimidine is sourced from PubChem (CID 177117738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).