2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine

C18H12Cl2F2N6 — CID 163214854

IUPAC2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine
SMILESFC(F)c1cnc(-c2ccc(Cn3nnc(-c4ccccc4Cl)c3Cl)nc2)[nH]1
InChIInChI=1S/C18H12Cl2F2N6/c19-13-4-2-1-3-12(13)15-16(20)28(27-26-15)9-11-6-5-10(7-23-11)18-24-8-14(25-18)17(21)22/h1-8,17H,9H2,(H,24,25)
InChIKeyHMEPYSIRUIYICL-UHFFFAOYSA-N
MW421.24 g/mol
LogP5.02
Rot. Bonds5

About 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine

2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine (PubChem CID 163214854) has the molecular formula C18H12Cl2F2N6 and a molecular weight of 421.24 g/mol. Its IUPAC name is 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine.

Molecular Properties

Compound Name2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine
PubChem CID163214854
Molecular FormulaC18H12Cl2F2N6
Molecular Weight421.24 g/mol
Exact Mass420.05
IUPAC Name2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine
SMILESFC(F)c1cnc(-c2ccc(Cn3nnc(-c4ccccc4Cl)c3Cl)nc2)[nH]1
InChIInChI=1S/C18H12Cl2F2N6/c19-13-4-2-1-3-12(13)15-16(20)28(27-26-15)9-11-6-5-10(7-23-11)18-24-8-14(25-18)17(21)22/h1-8,17H,9H2,(H,24,25)
InChIKeyHMEPYSIRUIYICL-UHFFFAOYSA-N
XLogP5.02
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.24
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

5-chloro-1-[[4-[5-(difluoromethyl)-1H-imidazol-2-yl]phenyl]methyl]-4-phenyltriazole
CID 163214830
1-benzyl-5-chloro-4-(4-methylphenyl)triazole
CID 72701212
1-benzyl-5-chloro-4-(4-methoxyphenyl)triazole
CID 72701213
1-benzyl-5-(2-chlorophenyl)triazole
CID 102338110
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
2-[(3-propan-2-yl-5-propyl-1,2,4-triazol-1-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976270
1-benzyl-5-chlorotriazole-4-carboxylate
CID 5227563
2,4-bis(2-chlorophenyl)pyridine
CID 134843363
(2-phenyl-1H-imidazol-5-yl)methanediol
CID 70125752
[5-(2-chlorophenyl)-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 94943191
5-(2-chlorophenyl)-1-[(3-fluorophenyl)methyl]triazole-4-carbaldehyde
CID 94946381
2-[(3-methyl-5-propyl-1,2,4-triazol-1-yl)methyl]-5-[2-(2H-tetrazol-5-yl)phenyl]pyridine
CID 19976717

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine?
The IUPAC name of 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine (CID 163214854) is 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine.
What is the SMILES notation for 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine?
The canonical SMILES for 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine is FC(F)c1cnc(-c2ccc(Cn3nnc(-c4ccccc4Cl)c3Cl)nc2)[nH]1.
What is the InChIKey of 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine?
The InChIKey is HMEPYSIRUIYICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F2N6/c19-13-4-2-1-3-12(13)15-16(20)28(27-26-15)9-11-6-5-10(7-23-11)18-24-8-14(25-18)17(21)22/h1-8,17H,9H2,(H,24,25).
What are the key properties of 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine?
2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine has a molecular weight of 421.24 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-4-(2-chlorophenyl)triazol-1-yl]methyl]-5-[5-(difluoromethyl)-1H-imidazol-2-yl]pyridine is sourced from PubChem (CID 163214854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).