(4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one

C25H28N4O — CID 143600043

IUPAC(4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
SMILESCc1ccc(CCN2C(=O)N(NCc3ccccn3)C[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N4O/c1-19-6-10-21(11-7-19)14-16-28-24(22-12-8-20(2)9-13-22)18-29(25(28)30)27-17-23-5-3-4-15-26-23/h3-13,15,24,27H,14,16-18H2,1-2H3/t24-/m0/s1
InChIKeyWENXXMQEHAZXED-DEOSSOPVSA-N
MW400.53 g/mol
LogP4.42
Rot. Bonds7

About (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one

(4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one (PubChem CID 143600043) has the molecular formula C25H28N4O and a molecular weight of 400.53 g/mol. Its IUPAC name is (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
PubChem CID143600043
Molecular FormulaC25H28N4O
Molecular Weight400.53 g/mol
Exact Mass400.23
IUPAC Name(4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one
SMILESCc1ccc(CCN2C(=O)N(NCc3ccccn3)C[C@H]2c2ccc(C)cc2)cc1
InChIInChI=1S/C25H28N4O/c1-19-6-10-21(11-7-19)14-16-28-24(22-12-8-20(2)9-13-22)18-29(25(28)30)27-17-23-5-3-4-15-26-23/h3-13,15,24,27H,14,16-18H2,1-2H3/t24-/m0/s1
InChIKeyWENXXMQEHAZXED-DEOSSOPVSA-N
XLogP4.42
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.53
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one?
The IUPAC name of (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one (CID 143600043) is (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one.
What is the SMILES notation for (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one?
The canonical SMILES for (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one is Cc1ccc(CCN2C(=O)N(NCc3ccccn3)C[C@H]2c2ccc(C)cc2)cc1.
What is the InChIKey of (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one?
The InChIKey is WENXXMQEHAZXED-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H28N4O/c1-19-6-10-21(11-7-19)14-16-28-24(22-12-8-20(2)9-13-22)18-29(25(28)30)27-17-23-5-3-4-15-26-23/h3-13,15,24,27H,14,16-18H2,1-2H3/t24-/m0/s1.
What are the key properties of (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one?
(4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one has a molecular weight of 400.53 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(4-methylphenyl)-3-[2-(4-methylphenyl)ethyl]-1-(pyridin-2-ylmethylamino)imidazolidin-2-one is sourced from PubChem (CID 143600043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).