benzimidazol-2-one;hydrochloride

C7H5ClN2O — CID 20555078

IUPACbenzimidazol-2-one;hydrochloride
SMILESCl.O=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2O.ClH/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H;1H
InChIKeyQUNGXSCIAYPUKE-UHFFFAOYSA-N
MW168.58 g/mol
LogP0.48
Rot. Bonds

About benzimidazol-2-one;hydrochloride

benzimidazol-2-one;hydrochloride (PubChem CID 20555078) has the molecular formula C7H5ClN2O and a molecular weight of 168.58 g/mol. Its IUPAC name is benzimidazol-2-one;hydrochloride.

Molecular Properties

Compound Namebenzimidazol-2-one;hydrochloride
PubChem CID20555078
Molecular FormulaC7H5ClN2O
Molecular Weight168.58 g/mol
Exact Mass168.01
IUPAC Namebenzimidazol-2-one;hydrochloride
SMILESCl.O=C1N=c2ccccc2=N1
InChIInChI=1S/C7H4N2O.ClH/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H;1H
InChIKeyQUNGXSCIAYPUKE-UHFFFAOYSA-N
XLogP0.48
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.58
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzimidazol-2-one;hydrochloride?
The IUPAC name of benzimidazol-2-one;hydrochloride (CID 20555078) is benzimidazol-2-one;hydrochloride.
What is the SMILES notation for benzimidazol-2-one;hydrochloride?
The canonical SMILES for benzimidazol-2-one;hydrochloride is Cl.O=C1N=c2ccccc2=N1.
What is the InChIKey of benzimidazol-2-one;hydrochloride?
The InChIKey is QUNGXSCIAYPUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N2O.ClH/c10-7-8-5-3-1-2-4-6(5)9-7;/h1-4H;1H.
What are the key properties of benzimidazol-2-one;hydrochloride?
benzimidazol-2-one;hydrochloride has a molecular weight of 168.58 g/mol, XLogP of 0.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzimidazol-2-one;hydrochloride is sourced from PubChem (CID 20555078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).