(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one

C31H37N5O — CID 15950679

IUPAC(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C31H37N5O/c37-31-35(28-9-5-2-6-10-28)22-30(26-7-3-1-4-8-26)36(31)29-15-17-34(18-16-29)21-24-11-13-25(14-12-24)27-19-32-23-33-20-27/h1,3-4,7-8,11-14,19-20,23,28-30H,2,5-6,9-10,15-18,21-22H2/t30-/m0/s1
InChIKeyBJTKGWRIIPEVPM-PMERELPUSA-N
MW495.67 g/mol
LogP5.92
Rot. Bonds6

About (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one

(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one (PubChem CID 15950679) has the molecular formula C31H37N5O and a molecular weight of 495.67 g/mol. Its IUPAC name is (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
PubChem CID15950679
Molecular FormulaC31H37N5O
Molecular Weight495.67 g/mol
Exact Mass495.30
IUPAC Name(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one
SMILESO=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1
InChIInChI=1S/C31H37N5O/c37-31-35(28-9-5-2-6-10-28)22-30(26-7-3-1-4-8-26)36(31)29-15-17-34(18-16-29)21-24-11-13-25(14-12-24)27-19-32-23-33-20-27/h1,3-4,7-8,11-14,19-20,23,28-30H,2,5-6,9-10,15-18,21-22H2/t30-/m0/s1
InChIKeyBJTKGWRIIPEVPM-PMERELPUSA-N
XLogP5.92
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The IUPAC name of (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one (CID 15950679) is (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one.
What is the SMILES notation for (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The canonical SMILES for (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one is O=C1N(C2CCCCC2)C[C@@H](c2ccccc2)N1C1CCN(Cc2ccc(-c3cncnc3)cc2)CC1.
What is the InChIKey of (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
The InChIKey is BJTKGWRIIPEVPM-PMERELPUSA-N. The full InChI is InChI=1S/C31H37N5O/c37-31-35(28-9-5-2-6-10-28)22-30(26-7-3-1-4-8-26)36(31)29-15-17-34(18-16-29)21-24-11-13-25(14-12-24)27-19-32-23-33-20-27/h1,3-4,7-8,11-14,19-20,23,28-30H,2,5-6,9-10,15-18,21-22H2/t30-/m0/s1.
What are the key properties of (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one?
(4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one has a molecular weight of 495.67 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-cyclohexyl-4-phenyl-3-[1-[(4-pyrimidin-5-ylphenyl)methyl]piperidin-4-yl]imidazolidin-2-one is sourced from PubChem (CID 15950679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).