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

C20H23N3O — CID 21262767

IUPAC3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H23N3O/c1-15(16-7-3-2-4-8-16)22-13-11-17(12-14-22)23-19-10-6-5-9-18(19)21-20(23)24/h2-10,15,17H,11-14H2,1H3,(H,21,24)
InChIKeyXUDUTRMKKYUAKI-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.73
Rot. Bonds3

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

3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 21262767) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID21262767
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESCC(c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1
InChIInChI=1S/C20H23N3O/c1-15(16-7-3-2-4-8-16)22-13-11-17(12-14-22)23-19-10-6-5-9-18(19)21-20(23)24/h2-10,15,17H,11-14H2,1H3,(H,21,24)
InChIKeyXUDUTRMKKYUAKI-UHFFFAOYSA-N
XLogP3.73
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 21262767) is 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one is CC(c1ccccc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1.
What is the InChIKey of 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is XUDUTRMKKYUAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-15(16-7-3-2-4-8-16)22-13-11-17(12-14-22)23-19-10-6-5-9-18(19)21-20(23)24/h2-10,15,17H,11-14H2,1H3,(H,21,24).
What are the key properties of 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 321.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 21262767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).