2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

C18H14F2N6 — CID 121460612

IUPAC2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(Cc3ccc(F)cc3F)cn2)c1
InChIInChI=1S/C18H14F2N6/c1-11-18(24-25-23-11)12-4-5-21-16(6-12)17-9-26(10-22-17)8-13-2-3-14(19)7-15(13)20/h2-7,9-10H,8H2,1H3,(H,23,24,25)
InChIKeyZIEYQSMYQRCRLV-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.37
Rot. Bonds4

About 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine

2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (PubChem CID 121460612) has the molecular formula C18H14F2N6 and a molecular weight of 352.35 g/mol. Its IUPAC name is 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.

Molecular Properties

Compound Name2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
PubChem CID121460612
Molecular FormulaC18H14F2N6
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC Name2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine
SMILESCc1n[nH]nc1-c1ccnc(-c2cn(Cc3ccc(F)cc3F)cn2)c1
InChIInChI=1S/C18H14F2N6/c1-11-18(24-25-23-11)12-4-5-21-16(6-12)17-9-26(10-22-17)8-13-2-3-14(19)7-15(13)20/h2-7,9-10H,8H2,1H3,(H,23,24,25)
InChIKeyZIEYQSMYQRCRLV-UHFFFAOYSA-N
XLogP3.37
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The IUPAC name of 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine (CID 121460612) is 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine.
What is the SMILES notation for 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The canonical SMILES for 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is Cc1n[nH]nc1-c1ccnc(-c2cn(Cc3ccc(F)cc3F)cn2)c1.
What is the InChIKey of 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
The InChIKey is ZIEYQSMYQRCRLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6/c1-11-18(24-25-23-11)12-4-5-21-16(6-12)17-9-26(10-22-17)8-13-2-3-14(19)7-15(13)20/h2-7,9-10H,8H2,1H3,(H,23,24,25).
What are the key properties of 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine?
2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine has a molecular weight of 352.35 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2,4-difluorophenyl)methyl]imidazol-4-yl]-4-(5-methyl-2H-triazol-4-yl)pyridine is sourced from PubChem (CID 121460612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).