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

C23H27N3O — CID 10522613

IUPAC4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-18-22(20-10-6-3-7-11-20)24-23(27)26(18)21-13-16-25(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3,(H,24,27)
InChIKeyGIYXEZZPINFSPU-UHFFFAOYSA-N
MW361.49 g/mol
LogP4.03
Rot. Bonds5

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

4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one (PubChem CID 10522613) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is 4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
PubChem CID10522613
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC Name4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C23H27N3O/c1-18-22(20-10-6-3-7-11-20)24-23(27)26(18)21-13-16-25(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3,(H,24,27)
InChIKeyGIYXEZZPINFSPU-UHFFFAOYSA-N
XLogP4.03
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 54.03
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-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one?
The IUPAC name of 4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one (CID 10522613) is 4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one is Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one?
The InChIKey is GIYXEZZPINFSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-18-22(20-10-6-3-7-11-20)24-23(27)26(18)21-13-16-25(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,21H,12-17H2,1H3,(H,24,27).
What are the key properties of 4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one?
4-methyl-5-phenyl-3-[1-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one has a molecular weight of 361.49 g/mol, XLogP of 4.03, 5 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-(2-phenylethyl)piperidin-4-yl]-1H-imidazol-2-one is sourced from PubChem (CID 10522613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).