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3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

C19H18ClN3O2 — CID 27184460

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H18ClN3O2/c20-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)21-19(23)25/h1-8,15H,9-12H2,(H,21,25)
InChIKeyQEELOJDPMVNZPK-UHFFFAOYSA-N
MW355.83 g/mol
LogP3.46
Rot. Bonds2

About 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 27184460) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID27184460
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=C(c1ccc(Cl)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C19H18ClN3O2/c20-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)21-19(23)25/h1-8,15H,9-12H2,(H,21,25)
InChIKeyQEELOJDPMVNZPK-UHFFFAOYSA-N
XLogP3.46
TPSA58.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.83
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 27184460) is 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=C(c1ccc(Cl)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is QEELOJDPMVNZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-14-7-5-13(6-8-14)18(24)22-11-9-15(10-12-22)23-17-4-2-1-3-16(17)21-19(23)25/h1-8,15H,9-12H2,(H,21,25).
What are the key properties of 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 355.83 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorobenzoyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 27184460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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