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

C18H17ClN4O2 — CID 44567475

IUPAC3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCOc1ccc(N2CCn3c(COc4ccc(Cl)cc4)nnc32)cc1
InChIInChI=1S/C18H17ClN4O2/c1-24-15-8-4-14(5-9-15)22-10-11-23-17(20-21-18(22)23)12-25-16-6-2-13(19)3-7-16/h2-9H,10-12H2,1H3
InChIKeyWVDSXZQZIPLCKX-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.67
Rot. Bonds5

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

3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (PubChem CID 44567475) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.

Molecular Properties

Compound Name3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
PubChem CID44567475
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole
SMILESCOc1ccc(N2CCn3c(COc4ccc(Cl)cc4)nnc32)cc1
InChIInChI=1S/C18H17ClN4O2/c1-24-15-8-4-14(5-9-15)22-10-11-23-17(20-21-18(22)23)12-25-16-6-2-13(19)3-7-16/h2-9H,10-12H2,1H3
InChIKeyWVDSXZQZIPLCKX-UHFFFAOYSA-N
XLogP3.67
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The IUPAC name of 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole (CID 44567475) is 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole.
What is the SMILES notation for 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The canonical SMILES for 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is COc1ccc(N2CCn3c(COc4ccc(Cl)cc4)nnc32)cc1.
What is the InChIKey of 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
The InChIKey is WVDSXZQZIPLCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-24-15-8-4-14(5-9-15)22-10-11-23-17(20-21-18(22)23)12-25-16-6-2-13(19)3-7-16/h2-9H,10-12H2,1H3.
What are the key properties of 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole?
3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole has a molecular weight of 356.81 g/mol, XLogP of 3.67, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenoxy)methyl]-7-(4-methoxyphenyl)-5,6-dihydroimidazo[2,1-c][1,2,4]triazole is sourced from PubChem (CID 44567475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).