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

C22H31N3O — CID 10570080

IUPAC3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C22H31N3O/c1-17-21(19-10-6-3-7-11-19)23-22(26)25(17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h3,6-7,10-11,18,20H,2,4-5,8-9,12-16H2,1H3,(H,23,26)
InChIKeyVFLJXRCSXJBPAE-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.37
Rot. Bonds4

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

3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one (PubChem CID 10570080) has the molecular formula C22H31N3O and a molecular weight of 353.51 g/mol. Its IUPAC name is 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one
PubChem CID10570080
Molecular FormulaC22H31N3O
Molecular Weight353.51 g/mol
Exact Mass353.25
IUPAC Name3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one
SMILESCc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CC2CCCCC2)CC1
InChIInChI=1S/C22H31N3O/c1-17-21(19-10-6-3-7-11-19)23-22(26)25(17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h3,6-7,10-11,18,20H,2,4-5,8-9,12-16H2,1H3,(H,23,26)
InChIKeyVFLJXRCSXJBPAE-UHFFFAOYSA-N
XLogP4.37
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one (CID 10570080) is 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one is Cc1c(-c2ccccc2)[nH]c(=O)n1C1CCN(CC2CCCCC2)CC1.
What is the InChIKey of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one?
The InChIKey is VFLJXRCSXJBPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O/c1-17-21(19-10-6-3-7-11-19)23-22(26)25(17)20-12-14-24(15-13-20)16-18-8-4-2-5-9-18/h3,6-7,10-11,18,20H,2,4-5,8-9,12-16H2,1H3,(H,23,26).
What are the key properties of 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one?
3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one has a molecular weight of 353.51 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(cyclohexylmethyl)piperidin-4-yl]-4-methyl-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 10570080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).