1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole

C15H15Cl2N5 — CID 118870155

IUPAC1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole
SMILESCC(C)c1nccn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H15Cl2N5/c1-10(2)15-18-5-6-21(15)8-11-9-22(20-19-11)12-3-4-13(16)14(17)7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyAJGOWAAIQPCIPM-UHFFFAOYSA-N
MW336.23 g/mol
LogP3.94
Rot. Bonds4

About 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole

1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole (PubChem CID 118870155) has the molecular formula C15H15Cl2N5 and a molecular weight of 336.23 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole
PubChem CID118870155
Molecular FormulaC15H15Cl2N5
Molecular Weight336.23 g/mol
Exact Mass335.07
IUPAC Name1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole
SMILESCC(C)c1nccn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1
InChIInChI=1S/C15H15Cl2N5/c1-10(2)15-18-5-6-21(15)8-11-9-22(20-19-11)12-3-4-13(16)14(17)7-12/h3-7,9-10H,8H2,1-2H3
InChIKeyAJGOWAAIQPCIPM-UHFFFAOYSA-N
XLogP3.94
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole?
The IUPAC name of 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole (CID 118870155) is 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole?
The canonical SMILES for 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole is CC(C)c1nccn1Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1.
What is the InChIKey of 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole?
The InChIKey is AJGOWAAIQPCIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5/c1-10(2)15-18-5-6-21(15)8-11-9-22(20-19-11)12-3-4-13(16)14(17)7-12/h3-7,9-10H,8H2,1-2H3.
What are the key properties of 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole?
1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole has a molecular weight of 336.23 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-4-[(2-propan-2-ylimidazol-1-yl)methyl]triazole is sourced from PubChem (CID 118870155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).