(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one

C17H18N2O — CID 11219330

IUPAC(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one
SMILESCN1C(=O)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-18-15(13-9-5-3-6-10-13)16(19(2)17(18)20)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1
InChIKeyVDNQPGJZCBMFEH-HOTGVXAUSA-N
MW266.34 g/mol
LogP3.47
Rot. Bonds2

About (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one

(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one (PubChem CID 11219330) has the molecular formula C17H18N2O and a molecular weight of 266.34 g/mol. Its IUPAC name is (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one
PubChem CID11219330
Molecular FormulaC17H18N2O
Molecular Weight266.34 g/mol
Exact Mass266.14
IUPAC Name(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one
SMILESCN1C(=O)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N2O/c1-18-15(13-9-5-3-6-10-13)16(19(2)17(18)20)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1
InChIKeyVDNQPGJZCBMFEH-HOTGVXAUSA-N
XLogP3.47
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one?
The IUPAC name of (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one (CID 11219330) is (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one.
What is the SMILES notation for (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one?
The canonical SMILES for (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one is CN1C(=O)N(C)[C@@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one?
The InChIKey is VDNQPGJZCBMFEH-HOTGVXAUSA-N. The full InChI is InChI=1S/C17H18N2O/c1-18-15(13-9-5-3-6-10-13)16(19(2)17(18)20)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16-/m0/s1.
What are the key properties of (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one?
(4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one has a molecular weight of 266.34 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1,3-dimethyl-4,5-diphenylimidazolidin-2-one is sourced from PubChem (CID 11219330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).