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

C20H22ClN3O — CID 60561198

IUPAC3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(c1ccc(Cl)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H22ClN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25)
InChIKeyUARBQYKTGNWZBO-UHFFFAOYSA-N
MW355.87 g/mol
LogP4.38
Rot. Bonds3

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

3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 60561198) has the molecular formula C20H22ClN3O and a molecular weight of 355.87 g/mol. Its IUPAC name is 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID60561198
Molecular FormulaC20H22ClN3O
Molecular Weight355.87 g/mol
Exact Mass355.15
IUPAC Name3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(c1ccc(Cl)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H22ClN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25)
InChIKeyUARBQYKTGNWZBO-UHFFFAOYSA-N
XLogP4.38
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.87
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 60561198) is 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(c1ccc(Cl)cc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is UARBQYKTGNWZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN3O/c1-14(15-6-8-16(21)9-7-15)23-12-10-17(11-13-23)24-19-5-3-2-4-18(19)22-20(24)25/h2-9,14,17H,10-13H2,1H3,(H,22,25).
What are the key properties of 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 355.87 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[1-(4-chlorophenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 60561198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).