2-(3,4,5-trichlorophenyl)-1H-imidazole

C9H5Cl3N2 — CID 143938570

IUPAC2-(3,4,5-trichlorophenyl)-1H-imidazole
SMILESClc1cc(-c2ncc[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C9H5Cl3N2/c10-6-3-5(4-7(11)8(6)12)9-13-1-2-14-9/h1-4H,(H,13,14)
InChIKeyIMTWGAUVPBMBLA-UHFFFAOYSA-N
MW247.51 g/mol
LogP4.04
Rot. Bonds1

About 2-(3,4,5-trichlorophenyl)-1H-imidazole

2-(3,4,5-trichlorophenyl)-1H-imidazole (PubChem CID 143938570) has the molecular formula C9H5Cl3N2 and a molecular weight of 247.51 g/mol. Its IUPAC name is 2-(3,4,5-trichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-(3,4,5-trichlorophenyl)-1H-imidazole
PubChem CID143938570
Molecular FormulaC9H5Cl3N2
Molecular Weight247.51 g/mol
Exact Mass245.95
IUPAC Name2-(3,4,5-trichlorophenyl)-1H-imidazole
SMILESClc1cc(-c2ncc[nH]2)cc(Cl)c1Cl
InChIInChI=1S/C9H5Cl3N2/c10-6-3-5(4-7(11)8(6)12)9-13-1-2-14-9/h1-4H,(H,13,14)
InChIKeyIMTWGAUVPBMBLA-UHFFFAOYSA-N
XLogP4.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(3,5-dichloro-4-propan-2-yloxyphenyl)-1H-imidazole
CID 110539783
tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
2-(3,5-dimethoxyphenyl)-1H-imidazole;dihydrochloride
CID 139785129
2-(2,5-dichlorophenyl)-1H-imidazole
CID 67618991
2-(1H-pyrazol-4-yl)-1H-imidazole
CID 22037665
2,6-difluoro-4-(1H-imidazol-2-yl)-N-methylaniline
CID 174721174
2-[3,5-bis(trifluoromethoxy)phenyl]-1H-imidazole
CID 87924536
4-(1H-imidazol-2-yl)benzene-1,2-diamine
CID 19101595
2-(3,4-dimethylphenyl)-1H-imidazole
CID 12622727
ethane;2-phenyl-1H-imidazole
CID 142210082
5-(1H-imidazol-2-yl)pyridazin-3-amine
CID 91549002
2-(4-bromophenyl)-1H-imidazole;hydrobromide
CID 174990772

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,5-trichlorophenyl)-1H-imidazole?
The IUPAC name of 2-(3,4,5-trichlorophenyl)-1H-imidazole (CID 143938570) is 2-(3,4,5-trichlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-(3,4,5-trichlorophenyl)-1H-imidazole?
The canonical SMILES for 2-(3,4,5-trichlorophenyl)-1H-imidazole is Clc1cc(-c2ncc[nH]2)cc(Cl)c1Cl.
What is the InChIKey of 2-(3,4,5-trichlorophenyl)-1H-imidazole?
The InChIKey is IMTWGAUVPBMBLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2/c10-6-3-5(4-7(11)8(6)12)9-13-1-2-14-9/h1-4H,(H,13,14).
What are the key properties of 2-(3,4,5-trichlorophenyl)-1H-imidazole?
2-(3,4,5-trichlorophenyl)-1H-imidazole has a molecular weight of 247.51 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,5-trichlorophenyl)-1H-imidazole is sourced from PubChem (CID 143938570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).