2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane

C19H16FN6O3P-2 — CID 118987751

IUPAC2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane
SMILESCn1c(-c2cn(CCP(=O)([O-])[O-])nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H18FN6O3P/c1-25-18(14-6-8-21-9-7-14)17(13-2-4-15(20)5-3-13)22-19(25)16-12-26(24-23-16)10-11-30(27,28)29/h2-9,12H,10-11H2,1H3,(H2,27,28,29)/p-2
InChIKeyUKYZLGZCUOZPGI-UHFFFAOYSA-L
MW426.35 g/mol
LogP1.46
Rot. Bonds6

About 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane

2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane (PubChem CID 118987751) has the molecular formula C19H16FN6O3P-2 and a molecular weight of 426.35 g/mol. Its IUPAC name is 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane.

Molecular Properties

Compound Name2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane
PubChem CID118987751
Molecular FormulaC19H16FN6O3P-2
Molecular Weight426.35 g/mol
Exact Mass426.10
IUPAC Name2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane
SMILESCn1c(-c2cn(CCP(=O)([O-])[O-])nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1
InChIInChI=1S/C19H18FN6O3P/c1-25-18(14-6-8-21-9-7-14)17(13-2-4-15(20)5-3-13)22-19(25)16-12-26(24-23-16)10-11-30(27,28)29/h2-9,12H,10-11H2,1H3,(H2,27,28,29)/p-2
InChIKeyUKYZLGZCUOZPGI-UHFFFAOYSA-L
XLogP1.46
TPSA124.61 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.35
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane?
The IUPAC name of 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane (CID 118987751) is 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane.
What is the SMILES notation for 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane?
The canonical SMILES for 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane is Cn1c(-c2cn(CCP(=O)([O-])[O-])nn2)nc(-c2ccc(F)cc2)c1-c1ccncc1.
What is the InChIKey of 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane?
The InChIKey is UKYZLGZCUOZPGI-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H18FN6O3P/c1-25-18(14-6-8-21-9-7-14)17(13-2-4-15(20)5-3-13)22-19(25)16-12-26(24-23-16)10-11-30(27,28)29/h2-9,12H,10-11H2,1H3,(H2,27,28,29)/p-2.
What are the key properties of 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane?
2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane has a molecular weight of 426.35 g/mol, XLogP of 1.46, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(4-fluorophenyl)-1-methyl-5-pyridin-4-ylimidazol-2-yl]triazol-1-yl]ethyl-dioxido-oxo-λ5-phosphane is sourced from PubChem (CID 118987751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).