(4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one

C17H17ClN2O — CID 155554983

IUPAC(4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one
SMILESC[C@H]1CN(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-13-11-20(16-9-7-15(18)8-10-16)17(21)19(13)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyFMWWQNWAKUGFAD-ZDUSSCGKSA-N
MW300.79 g/mol
LogP4.17
Rot. Bonds3

About (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one

(4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one (PubChem CID 155554983) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one
PubChem CID155554983
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name(4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one
SMILESC[C@H]1CN(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1
InChIInChI=1S/C17H17ClN2O/c1-13-11-20(16-9-7-15(18)8-10-16)17(21)19(13)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1
InChIKeyFMWWQNWAKUGFAD-ZDUSSCGKSA-N
XLogP4.17
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one?
The IUPAC name of (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one (CID 155554983) is (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one.
What is the SMILES notation for (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one?
The canonical SMILES for (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one is C[C@H]1CN(c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1.
What is the InChIKey of (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one?
The InChIKey is FMWWQNWAKUGFAD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-13-11-20(16-9-7-15(18)8-10-16)17(21)19(13)12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3/t13-/m0/s1.
What are the key properties of (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one?
(4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one has a molecular weight of 300.79 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-benzyl-1-(4-chlorophenyl)-4-methylimidazolidin-2-one is sourced from PubChem (CID 155554983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).