2-chloro-5-(3-chlorophenyl)-1H-imidazole

C9H6Cl2N2 — CID 105466466

IUPAC2-chloro-5-(3-chlorophenyl)-1H-imidazole
SMILESClc1cccc(-c2cnc(Cl)[nH]2)c1
InChIInChI=1S/C9H6Cl2N2/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H,12,13)
InChIKeyPLSLRVISWAGMLN-UHFFFAOYSA-N
MW213.07 g/mol
LogP3.38
Rot. Bonds1

About 2-chloro-5-(3-chlorophenyl)-1H-imidazole

2-chloro-5-(3-chlorophenyl)-1H-imidazole (PubChem CID 105466466) has the molecular formula C9H6Cl2N2 and a molecular weight of 213.07 g/mol. Its IUPAC name is 2-chloro-5-(3-chlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name2-chloro-5-(3-chlorophenyl)-1H-imidazole
PubChem CID105466466
Molecular FormulaC9H6Cl2N2
Molecular Weight213.07 g/mol
Exact Mass211.99
IUPAC Name2-chloro-5-(3-chlorophenyl)-1H-imidazole
SMILESClc1cccc(-c2cnc(Cl)[nH]2)c1
InChIInChI=1S/C9H6Cl2N2/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H,12,13)
InChIKeyPLSLRVISWAGMLN-UHFFFAOYSA-N
XLogP3.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.07
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-chlorophenyl)-1H-imidazole?
The IUPAC name of 2-chloro-5-(3-chlorophenyl)-1H-imidazole (CID 105466466) is 2-chloro-5-(3-chlorophenyl)-1H-imidazole.
What is the SMILES notation for 2-chloro-5-(3-chlorophenyl)-1H-imidazole?
The canonical SMILES for 2-chloro-5-(3-chlorophenyl)-1H-imidazole is Clc1cccc(-c2cnc(Cl)[nH]2)c1.
What is the InChIKey of 2-chloro-5-(3-chlorophenyl)-1H-imidazole?
The InChIKey is PLSLRVISWAGMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2/c10-7-3-1-2-6(4-7)8-5-12-9(11)13-8/h1-5H,(H,12,13).
What are the key properties of 2-chloro-5-(3-chlorophenyl)-1H-imidazole?
2-chloro-5-(3-chlorophenyl)-1H-imidazole has a molecular weight of 213.07 g/mol, XLogP of 3.38, 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-chlorophenyl)-1H-imidazole is sourced from PubChem (CID 105466466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).