3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

C17H14Cl2N4O — CID 24813004

IUPAC3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESClc1ccc(OCc2nnc3n2CCN3c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14Cl2N4O/c18-12-1-5-14(6-2-12)22-9-10-23-16(20-21-17(22)23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2
InChIKeyJKRDSYRHXMOYQX-UHFFFAOYSA-N
MW361.23 g/mol
LogP4.32
Rot. Bonds4

About 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole

3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 24813004) has the molecular formula C17H14Cl2N4O and a molecular weight of 361.23 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID24813004
Molecular FormulaC17H14Cl2N4O
Molecular Weight361.23 g/mol
Exact Mass360.05
IUPAC Name3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESClc1ccc(OCc2nnc3n2CCN3c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H14Cl2N4O/c18-12-1-5-14(6-2-12)22-9-10-23-16(20-21-17(22)23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2
InChIKeyJKRDSYRHXMOYQX-UHFFFAOYSA-N
XLogP4.32
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.23
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 24813004) is 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is Clc1ccc(OCc2nnc3n2CCN3c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is JKRDSYRHXMOYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl2N4O/c18-12-1-5-14(6-2-12)22-9-10-23-16(20-21-17(22)23)11-24-15-7-3-13(19)4-8-15/h1-8H,9-11H2.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 361.23 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-7-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 24813004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).