1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole

C15H15ClFN5 — CID 118870086

IUPAC1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole
SMILESCc1cc(-n2cc(Cn3ccnc3CCF)nn2)ccc1Cl
InChIInChI=1S/C15H15ClFN5/c1-11-8-13(2-3-14(11)16)22-10-12(19-20-22)9-21-7-6-18-15(21)4-5-17/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyKOJCWZJFTKOHIH-UHFFFAOYSA-N
MW319.77 g/mol
LogP2.99
Rot. Bonds5

About 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole

1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole (PubChem CID 118870086) has the molecular formula C15H15ClFN5 and a molecular weight of 319.77 g/mol. Its IUPAC name is 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole.

Molecular Properties

Compound Name1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole
PubChem CID118870086
Molecular FormulaC15H15ClFN5
Molecular Weight319.77 g/mol
Exact Mass319.10
IUPAC Name1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole
SMILESCc1cc(-n2cc(Cn3ccnc3CCF)nn2)ccc1Cl
InChIInChI=1S/C15H15ClFN5/c1-11-8-13(2-3-14(11)16)22-10-12(19-20-22)9-21-7-6-18-15(21)4-5-17/h2-3,6-8,10H,4-5,9H2,1H3
InChIKeyKOJCWZJFTKOHIH-UHFFFAOYSA-N
XLogP2.99
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.77
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole?
The IUPAC name of 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole (CID 118870086) is 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole.
What is the SMILES notation for 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole?
The canonical SMILES for 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole is Cc1cc(-n2cc(Cn3ccnc3CCF)nn2)ccc1Cl.
What is the InChIKey of 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole?
The InChIKey is KOJCWZJFTKOHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN5/c1-11-8-13(2-3-14(11)16)22-10-12(19-20-22)9-21-7-6-18-15(21)4-5-17/h2-3,6-8,10H,4-5,9H2,1H3.
What are the key properties of 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole?
1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole has a molecular weight of 319.77 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-methylphenyl)-4-[[2-(2-fluoroethyl)imidazol-1-yl]methyl]triazole is sourced from PubChem (CID 118870086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).