(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide

C30H34F3N5O3 — CID 25232817

IUPAC(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide
SMILESCN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1
InChIInChI=1S/C30H34F3N5O3/c1-37(2)22-10-6-9-20(11-22)15-34-16-28(39)26(12-19-7-4-3-5-8-19)35-29(40)27-18-38(30(41)36-27)17-21-13-24(32)25(33)14-23(21)31/h3-11,13-14,26-28,34,39H,12,15-18H2,1-2H3,(H,35,40)(H,36,41)/t26-,27-,28+/m0/s1
InChIKeyVNUBIZBPCBGZAL-HZFUHODCSA-N
MW569.63 g/mol
LogP2.94
Rot. Bonds12

About (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide

(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide (PubChem CID 25232817) has the molecular formula C30H34F3N5O3 and a molecular weight of 569.63 g/mol. Its IUPAC name is (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide
PubChem CID25232817
Molecular FormulaC30H34F3N5O3
Molecular Weight569.63 g/mol
Exact Mass569.26
IUPAC Name(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide
SMILESCN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1
InChIInChI=1S/C30H34F3N5O3/c1-37(2)22-10-6-9-20(11-22)15-34-16-28(39)26(12-19-7-4-3-5-8-19)35-29(40)27-18-38(30(41)36-27)17-21-13-24(32)25(33)14-23(21)31/h3-11,13-14,26-28,34,39H,12,15-18H2,1-2H3,(H,35,40)(H,36,41)/t26-,27-,28+/m0/s1
InChIKeyVNUBIZBPCBGZAL-HZFUHODCSA-N
XLogP2.94
TPSA96.94 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500569.63
LogP ≤ 52.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5s)-N-[(1s,2s,4s)-1-Benzyl-2-Hydroxy-4-{[(2s)-3-Methyl-2-(2-Oxotetrahydropyrimidin-1(2h)-Yl)butanoyl]amino}-5-Phenylpentyl]-2-Oxo-3-Phenyl-1,3-Oxazolidine-5-Carboxamide
CID 16006040
(5S)-N-[(1S,2S,4S)-4-[[(2S)-2-acetamido-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]-2-oxo-3-[3-(trifluoromethyl)phenyl]oxazolidine-5-carboxamide
CID 17755209
(5S)-N-[(1S,2S,4S)-4-[[(2S)-2-Acetamido-3-methyl-butanoyl]amino]-1-benzyl-2-hydroxy-5-phenyl-pentyl]-3-(3,4-difluorophenyl)-2-oxo-oxazolidine-5-carboxamide
CID 17756384
(4s)-1,4-Dibenzyl-N-[(1s,2r)-1-Benzyl-3-{[3-(Dimethylamino)benzyl]amino}-2-Hydroxypropyl]-2-Oxoimidazolidine-4-Carboxamide
CID 24801865
(4S)-N-[(2S,3R)-4-[(3-tert-butylphenyl)methylamino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-1-[(3,5-difluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 25066444
(4S)-1-benzyl-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxoimidazolidine-4-carboxamide
CID 25232084
(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]imidazolidine-4-carboxamide
CID 25233156
(4S)-1-benzyl-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-4-methyl-2-oxoimidazolidine-4-carboxamide
CID 25233160
(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-1-[(4-fluorophenyl)methyl]-2-oxoimidazolidine-4-carboxamide
CID 25233329
1-Ethyl-4-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-(3-fluorophenyl)-propyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 25253703
1-Ethyl-5-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 25253915
1-Ethyl-4-fluoro-3-[(1S,2R)-2-hydroxy-3-(methylamino)-1-phenylpropyl]-1,3-dihydro-2H-benzimidazol-2-one
CID 25253916

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide (CID 25232817) is (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide is CN(C)c1cccc(CNC[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)c(F)cc3F)C(=O)N2)c1.
What is the InChIKey of (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide?
The InChIKey is VNUBIZBPCBGZAL-HZFUHODCSA-N. The full InChI is InChI=1S/C30H34F3N5O3/c1-37(2)22-10-6-9-20(11-22)15-34-16-28(39)26(12-19-7-4-3-5-8-19)35-29(40)27-18-38(30(41)36-27)17-21-13-24(32)25(33)14-23(21)31/h3-11,13-14,26-28,34,39H,12,15-18H2,1-2H3,(H,35,40)(H,36,41)/t26-,27-,28+/m0/s1.
What are the key properties of (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide?
(4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide has a molecular weight of 569.63 g/mol, XLogP of 2.94, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[(2S,3R)-4-[[3-(dimethylamino)phenyl]methylamino]-3-hydroxy-1-phenylbutan-2-yl]-2-oxo-1-[(2,4,5-trifluorophenyl)methyl]imidazolidine-4-carboxamide is sourced from PubChem (CID 25232817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).