4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one

C24H29N3O — CID 10667201

IUPAC4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c1-19-23(21-12-6-3-7-13-21)25-24(28)27(19)22-14-17-26(18-15-22)16-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,22H,8,11,14-18H2,1H3,(H,25,28)
InChIKeyCRYGIUKJRPGSDW-UHFFFAOYSA-N
MW375.52 g/mol
LogP4.42
Rot. Bonds6

About 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one

4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 10667201) has the molecular formula C24H29N3O and a molecular weight of 375.52 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one
PubChem CID10667201
Molecular FormulaC24H29N3O
Molecular Weight375.52 g/mol
Exact Mass375.23
IUPAC Name4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C24H29N3O/c1-19-23(21-12-6-3-7-13-21)25-24(28)27(19)22-14-17-26(18-15-22)16-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,22H,8,11,14-18H2,1H3,(H,25,28)
InChIKeyCRYGIUKJRPGSDW-UHFFFAOYSA-N
XLogP4.42
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one (CID 10667201) is 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one is Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is CRYGIUKJRPGSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O/c1-19-23(21-12-6-3-7-13-21)25-24(28)27(19)22-14-17-26(18-15-22)16-8-11-20-9-4-2-5-10-20/h2-7,9-10,12-13,22H,8,11,14-18H2,1H3,(H,25,28).
What are the key properties of 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one?
4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 375.52 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-phenyl-3-[1-(3-phenylpropyl)piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 10667201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).