4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid

C16H20ClN3O3 — CID 130423889

IUPAC4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1c(=O)n(C2CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C16H20ClN3O3/c17-11-3-4-13-14(10-11)19(9-1-2-15(21)22)16(23)20(13)12-5-7-18-8-6-12/h3-4,10,12,18H,1-2,5-9H2,(H,21,22)
InChIKeyOSPHKQXIAHNSRP-UHFFFAOYSA-N
MW337.81 g/mol
LogP2.25
Rot. Bonds5

About 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid

4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid (PubChem CID 130423889) has the molecular formula C16H20ClN3O3 and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid
PubChem CID130423889
Molecular FormulaC16H20ClN3O3
Molecular Weight337.81 g/mol
Exact Mass337.12
IUPAC Name4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid
SMILESO=C(O)CCCn1c(=O)n(C2CCNCC2)c2ccc(Cl)cc21
InChIInChI=1S/C16H20ClN3O3/c17-11-3-4-13-14(10-11)19(9-1-2-15(21)22)16(23)20(13)12-5-7-18-8-6-12/h3-4,10,12,18H,1-2,5-9H2,(H,21,22)
InChIKeyOSPHKQXIAHNSRP-UHFFFAOYSA-N
XLogP2.25
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid?
The IUPAC name of 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid (CID 130423889) is 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid.
What is the SMILES notation for 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid?
The canonical SMILES for 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid is O=C(O)CCCn1c(=O)n(C2CCNCC2)c2ccc(Cl)cc21.
What is the InChIKey of 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid?
The InChIKey is OSPHKQXIAHNSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3/c17-11-3-4-13-14(10-11)19(9-1-2-15(21)22)16(23)20(13)12-5-7-18-8-6-12/h3-4,10,12,18H,1-2,5-9H2,(H,21,22).
What are the key properties of 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid?
4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid has a molecular weight of 337.81 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2-oxo-3-piperidin-4-ylbenzimidazol-1-yl)butanoic acid is sourced from PubChem (CID 130423889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).