1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one

C27H29N3O — CID 11718536

IUPAC1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one
SMILESO=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H29N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2,(H,28,31)
InChIKeyQRIOHHDYJDFPEK-UHFFFAOYSA-N
MW411.55 g/mol
LogP4.62
Rot. Bonds5

About 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one

1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one (PubChem CID 11718536) has the molecular formula C27H29N3O and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one.

Molecular Properties

Compound Name1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one
PubChem CID11718536
Molecular FormulaC27H29N3O
Molecular Weight411.55 g/mol
Exact Mass411.23
IUPAC Name1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one
SMILESO=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C27H29N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2,(H,28,31)
InChIKeyQRIOHHDYJDFPEK-UHFFFAOYSA-N
XLogP4.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7aS)-2-(1-benzylpiperidin-4-yl)-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-3-one
CID 46222885
3-(1-benzylpiperidin-4-yl)-4,5-dihydro-1H-1,3-benzodiazepin-2-one;molecular hydrogen
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2-(1-benzylpiperidin-4-yl)-3,4-dihydroisoquinolin-1-one
CID 21430540
4-(1-benzylpiperidin-4-yl)-4-phenylimidazolidin-2-one
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4-(1-benzylpiperidin-4-yl)morpholin-3-one;ethane
CID 145162351
1-(1-benzylpiperidin-4-yl)-5-oxopyrrolidine-3-sulfonyl chloride
CID 168712027
1-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-3-yl]-4,4-diphenylimidazolidin-2-one
CID 138621574
1-(1-benzylpiperidin-4-yl)-3-[(2-methyloxiran-2-yl)methyl]imidazolidin-2-one
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1-(1-benzylpiperidin-4-yl)azocane
CID 2846402
1-(1-benzylpiperidin-4-yl)-3,4-dihydroquinolin-2-one
CID 10687182
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
8-benzyl-3-piperidin-4-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 167995797

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one?
The IUPAC name of 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one (CID 11718536) is 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one.
What is the SMILES notation for 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one?
The canonical SMILES for 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one is O=C1NC(c2ccccc2)(c2ccccc2)CN1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one?
The InChIKey is QRIOHHDYJDFPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O/c31-26-28-27(23-12-6-2-7-13-23,24-14-8-3-9-15-24)21-30(26)25-16-18-29(19-17-25)20-22-10-4-1-5-11-22/h1-15,25H,16-21H2,(H,28,31).
What are the key properties of 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one?
1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one has a molecular weight of 411.55 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzylpiperidin-4-yl)-4,4-diphenylimidazolidin-2-one is sourced from PubChem (CID 11718536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).