(2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one

C29H26N2O — CID 59628600

IUPAC(2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN[C@@H]1C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26N2O/c1-31-27(32)20-30-29(31)28(25-16-12-23(13-17-25)21-8-4-2-5-9-21)26-18-14-24(15-19-26)22-10-6-3-7-11-22/h2-19,28-30H,20H2,1H3/t29-/m0/s1
InChIKeyQUSGTIDDZFXUIW-LJAQVGFWSA-N
MW418.54 g/mol
LogP5.54
Rot. Bonds5

About (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one

(2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one (PubChem CID 59628600) has the molecular formula C29H26N2O and a molecular weight of 418.54 g/mol. Its IUPAC name is (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one
PubChem CID59628600
Molecular FormulaC29H26N2O
Molecular Weight418.54 g/mol
Exact Mass418.20
IUPAC Name(2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCN1C(=O)CN[C@@H]1C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C29H26N2O/c1-31-27(32)20-30-29(31)28(25-16-12-23(13-17-25)21-8-4-2-5-9-21)26-18-14-24(15-19-26)22-10-6-3-7-11-22/h2-19,28-30H,20H2,1H3/t29-/m0/s1
InChIKeyQUSGTIDDZFXUIW-LJAQVGFWSA-N
XLogP5.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.54
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one?
The IUPAC name of (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one (CID 59628600) is (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one?
The canonical SMILES for (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one is CN1C(=O)CN[C@@H]1C(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one?
The InChIKey is QUSGTIDDZFXUIW-LJAQVGFWSA-N. The full InChI is InChI=1S/C29H26N2O/c1-31-27(32)20-30-29(31)28(25-16-12-23(13-17-25)21-8-4-2-5-9-21)26-18-14-24(15-19-26)22-10-6-3-7-11-22/h2-19,28-30H,20H2,1H3/t29-/m0/s1.
What are the key properties of (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one?
(2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one has a molecular weight of 418.54 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[bis(4-phenylphenyl)methyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 59628600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).