benzene;1H-imidazole;hydrochloride

C9H11ClN2 — CID 162098896

IUPACbenzene;1H-imidazole;hydrochloride
SMILESCl.c1c[nH]cn1.c1ccccc1
InChIInChI=1S/C6H6.C3H4N2.ClH/c1-2-4-6-5-3-1;1-2-5-3-4-1;/h1-6H;1-3H,(H,4,5);1H
InChIKeyZEPPPAQQEVBWQV-UHFFFAOYSA-N
MW182.65 g/mol
LogP2.52
Rot. Bonds

About benzene;1H-imidazole;hydrochloride

benzene;1H-imidazole;hydrochloride (PubChem CID 162098896) has the molecular formula C9H11ClN2 and a molecular weight of 182.65 g/mol. Its IUPAC name is benzene;1H-imidazole;hydrochloride.

Molecular Properties

Compound Namebenzene;1H-imidazole;hydrochloride
PubChem CID162098896
Molecular FormulaC9H11ClN2
Molecular Weight182.65 g/mol
Exact Mass182.06
IUPAC Namebenzene;1H-imidazole;hydrochloride
SMILESCl.c1c[nH]cn1.c1ccccc1
InChIInChI=1S/C6H6.C3H4N2.ClH/c1-2-4-6-5-3-1;1-2-5-3-4-1;/h1-6H;1-3H,(H,4,5);1H
InChIKeyZEPPPAQQEVBWQV-UHFFFAOYSA-N
XLogP2.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.65
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;1H-imidazole;hydrochloride?
The IUPAC name of benzene;1H-imidazole;hydrochloride (CID 162098896) is benzene;1H-imidazole;hydrochloride.
What is the SMILES notation for benzene;1H-imidazole;hydrochloride?
The canonical SMILES for benzene;1H-imidazole;hydrochloride is Cl.c1c[nH]cn1.c1ccccc1.
What is the InChIKey of benzene;1H-imidazole;hydrochloride?
The InChIKey is ZEPPPAQQEVBWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C3H4N2.ClH/c1-2-4-6-5-3-1;1-2-5-3-4-1;/h1-6H;1-3H,(H,4,5);1H.
What are the key properties of benzene;1H-imidazole;hydrochloride?
benzene;1H-imidazole;hydrochloride has a molecular weight of 182.65 g/mol, XLogP of 2.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;1H-imidazole;hydrochloride is sourced from PubChem (CID 162098896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).