5-chloro-4-piperidin-4-ylbenzimidazol-2-one

C12H12ClN3O — CID 121379925

IUPAC5-chloro-4-piperidin-4-ylbenzimidazol-2-one
SMILESO=C1N=c2ccc(Cl)c(C3CCNCC3)c2=N1
InChIInChI=1S/C12H12ClN3O/c13-8-1-2-9-11(16-12(17)15-9)10(8)7-3-5-14-6-4-7/h1-2,7,14H,3-6H2
InChIKeyXBTDVDKQOQRXDZ-UHFFFAOYSA-N
MW249.70 g/mol
LogP1.18
Rot. Bonds1

About 5-chloro-4-piperidin-4-ylbenzimidazol-2-one

5-chloro-4-piperidin-4-ylbenzimidazol-2-one (PubChem CID 121379925) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 5-chloro-4-piperidin-4-ylbenzimidazol-2-one.

Molecular Properties

Compound Name5-chloro-4-piperidin-4-ylbenzimidazol-2-one
PubChem CID121379925
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name5-chloro-4-piperidin-4-ylbenzimidazol-2-one
SMILESO=C1N=c2ccc(Cl)c(C3CCNCC3)c2=N1
InChIInChI=1S/C12H12ClN3O/c13-8-1-2-9-11(16-12(17)15-9)10(8)7-3-5-14-6-4-7/h1-2,7,14H,3-6H2
InChIKeyXBTDVDKQOQRXDZ-UHFFFAOYSA-N
XLogP1.18
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-piperidin-4-ylbenzimidazol-2-one?
The IUPAC name of 5-chloro-4-piperidin-4-ylbenzimidazol-2-one (CID 121379925) is 5-chloro-4-piperidin-4-ylbenzimidazol-2-one.
What is the SMILES notation for 5-chloro-4-piperidin-4-ylbenzimidazol-2-one?
The canonical SMILES for 5-chloro-4-piperidin-4-ylbenzimidazol-2-one is O=C1N=c2ccc(Cl)c(C3CCNCC3)c2=N1.
What is the InChIKey of 5-chloro-4-piperidin-4-ylbenzimidazol-2-one?
The InChIKey is XBTDVDKQOQRXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-8-1-2-9-11(16-12(17)15-9)10(8)7-3-5-14-6-4-7/h1-2,7,14H,3-6H2.
What are the key properties of 5-chloro-4-piperidin-4-ylbenzimidazol-2-one?
5-chloro-4-piperidin-4-ylbenzimidazol-2-one has a molecular weight of 249.70 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-piperidin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 121379925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).