(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one

C22H27N3O2 — CID 11024926

IUPAC(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESCC[C@@H](NCc1ccccc1)C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-4-19(23-15-17-11-7-5-8-12-17)21(26)25-20(16(2)24(3)22(25)27)18-13-9-6-10-14-18/h5-14,16,19-20,23H,4,15H2,1-3H3/t16-,19+,20-/m0/s1
InChIKeyNJLUEBAJHLWMGR-DBVUQKKJSA-N
MW365.48 g/mol
LogP3.58
Rot. Bonds6

About (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one

(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one (PubChem CID 11024926) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
PubChem CID11024926
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
SMILESCC[C@@H](NCc1ccccc1)C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1
InChIInChI=1S/C22H27N3O2/c1-4-19(23-15-17-11-7-5-8-12-17)21(26)25-20(16(2)24(3)22(25)27)18-13-9-6-10-14-18/h5-14,16,19-20,23H,4,15H2,1-3H3/t16-,19+,20-/m0/s1
InChIKeyNJLUEBAJHLWMGR-DBVUQKKJSA-N
XLogP3.58
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4S,5R)-1-[(2S)-2-bromo-4-phenylbutanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 139179430
(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(4S,5R)-1-[(2S,3R)-2-(dibenzylamino)-3-hydroxyhexanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 101112774
(4S,5R)-1-[(2S)-2-amino-5-methylhex-4-enoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 10686826
(2S)-2-(benzylamino)butanamide
CID 131998527
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
(4S,5R)-1-[(2R,3R)-2-(dibenzylamino)-3-(furan-2-yl)-3-hydroxypropanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 101112776
(4S,5R)-1-[(2R)-2-(dibenzylamino)-3-hydroxy-3-(4-methoxyphenyl)propanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 177383816
ethyl (4S)-4-(benzhydrylideneamino)-5-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-methyl-5-oxopentanoate
CID 102016203
N-[2-[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-2-oxoethyl]-N-formylformamide
CID 101112759

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The IUPAC name of (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one (CID 11024926) is (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one.
What is the SMILES notation for (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The canonical SMILES for (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one is CC[C@@H](NCc1ccccc1)C(=O)N1C(=O)N(C)[C@@H](C)[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
The InChIKey is NJLUEBAJHLWMGR-DBVUQKKJSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-19(23-15-17-11-7-5-8-12-17)21(26)25-20(16(2)24(3)22(25)27)18-13-9-6-10-14-18/h5-14,16,19-20,23H,4,15H2,1-3H3/t16-,19+,20-/m0/s1.
What are the key properties of (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one?
(4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one has a molecular weight of 365.48 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1-[(2R)-2-(benzylamino)butanoyl]-3,4-dimethyl-5-phenylimidazolidin-2-one is sourced from PubChem (CID 11024926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).