2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole

C9H5Cl3N2 — CID 116884455

IUPAC2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
SMILESClc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C9H5Cl3N2/c10-6-2-1-5(3-7(6)11)8-4-13-9(12)14-8/h1-4H,(H,13,14)
InChIKeyPFVCKXTXTAFBPP-UHFFFAOYSA-N
MW247.51 g/mol
LogP4.04
Rot. Bonds1

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

2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole (PubChem CID 116884455) has the molecular formula C9H5Cl3N2 and a molecular weight of 247.51 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
PubChem CID116884455
Molecular FormulaC9H5Cl3N2
Molecular Weight247.51 g/mol
Exact Mass245.95
IUPAC Name2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole
SMILESClc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1
InChIInChI=1S/C9H5Cl3N2/c10-6-2-1-5(3-7(6)11)8-4-13-9(12)14-8/h1-4H,(H,13,14)
InChIKeyPFVCKXTXTAFBPP-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

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Related Compounds

2-chloro-5-(4-chlorophenyl)-1H-imidazole
CID 30033002
2-chloro-5-(3-chlorophenyl)-1H-imidazole
CID 105466466
2-chloro-5-(6-methylnaphthalen-2-yl)-1H-imidazole
CID 116884464
2-chloro-5-(3-methylphenyl)-1H-imidazole
CID 105446615
2-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]butan-1-amine
CID 65232570
2-(3,4-dichlorophenyl)-5-phenyl-1H-imidazole
CID 23103021
[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methylcarbamic acid
CID 143516405
N-[[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]methyl]cyclopentanamine
CID 60849821
4-[2-(3,4-dichlorophenyl)-1H-imidazol-5-yl]pyridine;hydrobromide
CID 44529202
2-chloro-5-(1H-pyrrol-3-yl)-1H-imidazole
CID 116884407
[3-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]phenyl]methanamine;hydrochloride
CID 70194628
(1S)-1-[5-(3,4-dichlorophenyl)-1H-imidazol-2-yl]heptan-1-amine
CID 67214436

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole?
The IUPAC name of 2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole (CID 116884455) is 2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole?
The canonical SMILES for 2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole is Clc1ncc(-c2ccc(Cl)c(Cl)c2)[nH]1.
What is the InChIKey of 2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole?
The InChIKey is PFVCKXTXTAFBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl3N2/c10-6-2-1-5(3-7(6)11)8-4-13-9(12)14-8/h1-4H,(H,13,14).
What are the key properties of 2-chloro-5-(3,4-dichlorophenyl)-1H-imidazole?
2-chloro-5-(3,4-dichlorophenyl)-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-chloro-5-(3,4-dichlorophenyl)-1H-imidazole is sourced from PubChem (CID 116884455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).