1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one

C20H23N3O — CID 154396127

IUPAC1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
SMILESO=c1n(CCc2ccccc2)c2ccccc2n1C1CCNCC1
InChIInChI=1S/C20H23N3O/c24-20-22(15-12-16-6-2-1-3-7-16)18-8-4-5-9-19(18)23(20)17-10-13-21-14-11-17/h1-9,17,21H,10-15H2
InChIKeyHMCCBYKHXLPRKQ-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.97
Rot. Bonds4

About 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one

1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one (PubChem CID 154396127) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one.

Molecular Properties

Compound Name1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
PubChem CID154396127
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one
SMILESO=c1n(CCc2ccccc2)c2ccccc2n1C1CCNCC1
InChIInChI=1S/C20H23N3O/c24-20-22(15-12-16-6-2-1-3-7-16)18-8-4-5-9-19(18)23(20)17-10-13-21-14-11-17/h1-9,17,21H,10-15H2
InChIKeyHMCCBYKHXLPRKQ-UHFFFAOYSA-N
XLogP2.97
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one?
The IUPAC name of 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one (CID 154396127) is 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one.
What is the SMILES notation for 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one?
The canonical SMILES for 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one is O=c1n(CCc2ccccc2)c2ccccc2n1C1CCNCC1.
What is the InChIKey of 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one?
The InChIKey is HMCCBYKHXLPRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20-22(15-12-16-6-2-1-3-7-16)18-8-4-5-9-19(18)23(20)17-10-13-21-14-11-17/h1-9,17,21H,10-15H2.
What are the key properties of 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one?
1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one has a molecular weight of 321.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethyl)-3-piperidin-4-ylbenzimidazol-2-one is sourced from PubChem (CID 154396127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).