5-chlorobenzimidazol-2-one

C7H3ClN2O — CID 21290242

IUPAC5-chlorobenzimidazol-2-one
SMILESO=C1N=c2ccc(Cl)cc2=N1
InChIInChI=1S/C7H3ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H
InChIKeyOZMMDUAMJJUGJL-UHFFFAOYSA-N
MW166.57 g/mol
LogP0.71
Rot. Bonds

About 5-chlorobenzimidazol-2-one

5-chlorobenzimidazol-2-one (PubChem CID 21290242) has the molecular formula C7H3ClN2O and a molecular weight of 166.57 g/mol. Its IUPAC name is 5-chlorobenzimidazol-2-one.

Molecular Properties

Compound Name5-chlorobenzimidazol-2-one
PubChem CID21290242
Molecular FormulaC7H3ClN2O
Molecular Weight166.57 g/mol
Exact Mass165.99
IUPAC Name5-chlorobenzimidazol-2-one
SMILESO=C1N=c2ccc(Cl)cc2=N1
InChIInChI=1S/C7H3ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H
InChIKeyOZMMDUAMJJUGJL-UHFFFAOYSA-N
XLogP0.71
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.57
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chlorobenzimidazol-2-one?
The IUPAC name of 5-chlorobenzimidazol-2-one (CID 21290242) is 5-chlorobenzimidazol-2-one.
What is the SMILES notation for 5-chlorobenzimidazol-2-one?
The canonical SMILES for 5-chlorobenzimidazol-2-one is O=C1N=c2ccc(Cl)cc2=N1.
What is the InChIKey of 5-chlorobenzimidazol-2-one?
The InChIKey is OZMMDUAMJJUGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3ClN2O/c8-4-1-2-5-6(3-4)10-7(11)9-5/h1-3H.
What are the key properties of 5-chlorobenzimidazol-2-one?
5-chlorobenzimidazol-2-one has a molecular weight of 166.57 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chlorobenzimidazol-2-one is sourced from PubChem (CID 21290242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).