2,4,5-trichloro-1H-imidazole

C3HCl3N2 — CID 24357

IUPAC2,4,5-trichloro-1H-imidazole
SMILESClc1nc(Cl)c(Cl)[nH]1
InChIInChI=1S/C3HCl3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
InChIKeyKCUCKJJLMMZKBV-UHFFFAOYSA-N
MW171.41 g/mol
LogP2.37
Rot. Bonds

About 2,4,5-trichloro-1H-imidazole

2,4,5-trichloro-1H-imidazole (PubChem CID 24357) has the molecular formula C3HCl3N2 and a molecular weight of 171.41 g/mol. Its IUPAC name is 2,4,5-trichloro-1H-imidazole.

Molecular Properties

Compound Name2,4,5-trichloro-1H-imidazole
PubChem CID24357
Molecular FormulaC3HCl3N2
Molecular Weight171.41 g/mol
Exact Mass169.92
IUPAC Name2,4,5-trichloro-1H-imidazole
SMILESClc1nc(Cl)c(Cl)[nH]1
InChIInChI=1S/C3HCl3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8)
InChIKeyKCUCKJJLMMZKBV-UHFFFAOYSA-N
XLogP2.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.41
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,5-trichloro-1H-imidazole?
The IUPAC name of 2,4,5-trichloro-1H-imidazole (CID 24357) is 2,4,5-trichloro-1H-imidazole.
What is the SMILES notation for 2,4,5-trichloro-1H-imidazole?
The canonical SMILES for 2,4,5-trichloro-1H-imidazole is Clc1nc(Cl)c(Cl)[nH]1.
What is the InChIKey of 2,4,5-trichloro-1H-imidazole?
The InChIKey is KCUCKJJLMMZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HCl3N2/c4-1-2(5)8-3(6)7-1/h(H,7,8).
What are the key properties of 2,4,5-trichloro-1H-imidazole?
2,4,5-trichloro-1H-imidazole has a molecular weight of 171.41 g/mol, XLogP of 2.37, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trichloro-1H-imidazole is sourced from PubChem (CID 24357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).