(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one

C33H39N3O — CID 72712159

IUPAC(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C33H39N3O/c37-33-35(30-14-8-3-9-15-30)25-32(29-12-6-2-7-13-29)36(33)31-20-22-34(23-21-31)24-26-16-18-28(19-17-26)27-10-4-1-5-11-27/h1-2,4-7,10-13,16-19,30-32H,3,8-9,14-15,20-25H2/t32-/m0/s1
InChIKeyPGDRVVKGQXFTBB-YTTGMZPUSA-N
MW493.70 g/mol
LogP7.13
Rot. Bonds6

About (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one

(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 72712159) has the molecular formula C33H39N3O and a molecular weight of 493.70 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID72712159
Molecular FormulaC33H39N3O
Molecular Weight493.70 g/mol
Exact Mass493.31
IUPAC Name(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C33H39N3O/c37-33-35(30-14-8-3-9-15-30)25-32(29-12-6-2-7-13-29)36(33)31-20-22-34(23-21-31)24-26-16-18-28(19-17-26)27-10-4-1-5-11-27/h1-2,4-7,10-13,16-19,30-32H,3,8-9,14-15,20-25H2/t32-/m0/s1
InChIKeyPGDRVVKGQXFTBB-YTTGMZPUSA-N
XLogP7.13
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.70
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one (CID 72712159) is (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one is O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is PGDRVVKGQXFTBB-YTTGMZPUSA-N. The full InChI is InChI=1S/C33H39N3O/c37-33-35(30-14-8-3-9-15-30)25-32(29-12-6-2-7-13-29)36(33)31-20-22-34(23-21-31)24-26-16-18-28(19-17-26)27-10-4-1-5-11-27/h1-2,4-7,10-13,16-19,30-32H,3,8-9,14-15,20-25H2/t32-/m0/s1.
What are the key properties of (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 493.70 g/mol, XLogP of 7.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-phenylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 72712159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).