5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride

C10H10Cl2N2 — CID 3021900

IUPAC5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride
SMILESCl.Clc1ccccc1Cc1cnc[nH]1
InChIInChI=1S/C10H9ClN2.ClH/c11-10-4-2-1-3-8(10)5-9-6-12-7-13-9;/h1-4,6-7H,5H2,(H,12,13);1H
InChIKeyNWFSOELPSYBRDI-UHFFFAOYSA-N
MW229.11 g/mol
LogP3.08
Rot. Bonds2

About 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride

5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride (PubChem CID 3021900) has the molecular formula C10H10Cl2N2 and a molecular weight of 229.11 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride
PubChem CID3021900
Molecular FormulaC10H10Cl2N2
Molecular Weight229.11 g/mol
Exact Mass228.02
IUPAC Name5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride
SMILESCl.Clc1ccccc1Cc1cnc[nH]1
InChIInChI=1S/C10H9ClN2.ClH/c11-10-4-2-1-3-8(10)5-9-6-12-7-13-9;/h1-4,6-7H,5H2,(H,12,13);1H
InChIKeyNWFSOELPSYBRDI-UHFFFAOYSA-N
XLogP3.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.11
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride (CID 3021900) is 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride is Cl.Clc1ccccc1Cc1cnc[nH]1.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride?
The InChIKey is NWFSOELPSYBRDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2.ClH/c11-10-4-2-1-3-8(10)5-9-6-12-7-13-9;/h1-4,6-7H,5H2,(H,12,13);1H.
What are the key properties of 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride?
5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride has a molecular weight of 229.11 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 3021900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).