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

C9H7ClN2 — CID 45120708

IUPAC5-(3-chlorophenyl)-1H-imidazole
SMILESClc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C9H7ClN2/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKeyYAJYVAFOVNSPBQ-UHFFFAOYSA-N
MW178.62 g/mol
LogP2.73
Rot. Bonds1

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

5-(3-chlorophenyl)-1H-imidazole (PubChem CID 45120708) has the molecular formula C9H7ClN2 and a molecular weight of 178.62 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1H-imidazole
PubChem CID45120708
Molecular FormulaC9H7ClN2
Molecular Weight178.62 g/mol
Exact Mass178.03
IUPAC Name5-(3-chlorophenyl)-1H-imidazole
SMILESClc1cccc(-c2cnc[nH]2)c1
InChIInChI=1S/C9H7ClN2/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,(H,11,12)
InChIKeyYAJYVAFOVNSPBQ-UHFFFAOYSA-N
XLogP2.73
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.62
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1H-imidazole?
The IUPAC name of 5-(3-chlorophenyl)-1H-imidazole (CID 45120708) is 5-(3-chlorophenyl)-1H-imidazole.
What is the SMILES notation for 5-(3-chlorophenyl)-1H-imidazole?
The canonical SMILES for 5-(3-chlorophenyl)-1H-imidazole is Clc1cccc(-c2cnc[nH]2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-1H-imidazole?
The InChIKey is YAJYVAFOVNSPBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2/c10-8-3-1-2-7(4-8)9-5-11-6-12-9/h1-6H,(H,11,12).
What are the key properties of 5-(3-chlorophenyl)-1H-imidazole?
5-(3-chlorophenyl)-1H-imidazole has a molecular weight of 178.62 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1H-imidazole is sourced from PubChem (CID 45120708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).