4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole

C12H9Cl2N5 — CID 118870174

IUPAC4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole
SMILESClc1ccc(-n2cc(Cn3ccnc3Cl)nn2)cc1
InChIInChI=1S/C12H9Cl2N5/c13-9-1-3-11(4-2-9)19-8-10(16-17-19)7-18-6-5-15-12(18)14/h1-6,8H,7H2
InChIKeyIVDHBJSENGBWTH-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.82
Rot. Bonds3

About 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole

4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole (PubChem CID 118870174) has the molecular formula C12H9Cl2N5 and a molecular weight of 294.15 g/mol. Its IUPAC name is 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole.

Molecular Properties

Compound Name4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole
PubChem CID118870174
Molecular FormulaC12H9Cl2N5
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole
SMILESClc1ccc(-n2cc(Cn3ccnc3Cl)nn2)cc1
InChIInChI=1S/C12H9Cl2N5/c13-9-1-3-11(4-2-9)19-8-10(16-17-19)7-18-6-5-15-12(18)14/h1-6,8H,7H2
InChIKeyIVDHBJSENGBWTH-UHFFFAOYSA-N
XLogP2.82
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole?
The IUPAC name of 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole (CID 118870174) is 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole.
What is the SMILES notation for 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole?
The canonical SMILES for 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole is Clc1ccc(-n2cc(Cn3ccnc3Cl)nn2)cc1.
What is the InChIKey of 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole?
The InChIKey is IVDHBJSENGBWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N5/c13-9-1-3-11(4-2-9)19-8-10(16-17-19)7-18-6-5-15-12(18)14/h1-6,8H,7H2.
What are the key properties of 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole?
4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole has a molecular weight of 294.15 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chloroimidazol-1-yl)methyl]-1-(4-chlorophenyl)triazole is sourced from PubChem (CID 118870174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).