(4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one

C21H23N3O2 — CID 10712775

IUPAC(4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)N(C(=O)[C@H]2Cc3ccccc3CN2)C(=O)N1C
InChIInChI=1S/C21H23N3O2/c1-14-19(15-8-4-3-5-9-15)24(21(26)23(14)2)20(25)18-12-16-10-6-7-11-17(16)13-22-18/h3-11,14,18-19,22H,12-13H2,1-2H3/t14-,18-,19-/m1/s1
InChIKeyZEAWNBZXLDGSOV-NIKGAXFTSA-N
MW349.43 g/mol
LogP2.72
Rot. Bonds2

About (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one

(4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one (PubChem CID 10712775) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one
PubChem CID10712775
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name(4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one
SMILESC[C@@H]1[C@H](c2ccccc2)N(C(=O)[C@H]2Cc3ccccc3CN2)C(=O)N1C
InChIInChI=1S/C21H23N3O2/c1-14-19(15-8-4-3-5-9-15)24(21(26)23(14)2)20(25)18-12-16-10-6-7-11-17(16)13-22-18/h3-11,14,18-19,22H,12-13H2,1-2H3/t14-,18-,19-/m1/s1
InChIKeyZEAWNBZXLDGSOV-NIKGAXFTSA-N
XLogP2.72
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one with MolForge

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Related Compounds

(4S,5R)-1-(2-bromopropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11110159
(4R,5S)-1,5-dimethyl-3-[(2S)-2-methylpentanoyl]-4-phenylimidazolidin-2-one
CID 11098197
(4S,5R)-1-(2,2-dibromoacetyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 11047406
(4-methylpiperazin-1-yl)-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 4911281
1-(2,2-dimethylpropanoyl)-3,4-dimethyl-5-phenylimidazolidin-2-one
CID 59519611
[[(4S,5R)-3,4-dimethyl-2-oxo-5-phenylimidazolidin-1-yl]-phenylmethylidene]chromium
CID 10961201
[(3S)-1,2,3,4-tetrahydroisoquinolin-3-yl]-(3,4,5-trimethylpiperazin-1-yl)methanone
CID 104937385
(4S,5R)-1,5-dimethyl-3-[(E)-4-methylpent-2-enoyl]-4-phenylimidazolidin-2-one
CID 11087392
4-methyl-1-(1,2,3,4-tetrahydroisoquinoline-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63720034
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 104958576
azane;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid
CID 175030383
[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]-(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone
CID 107220658

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one?
The IUPAC name of (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one (CID 10712775) is (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one.
What is the SMILES notation for (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one?
The canonical SMILES for (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one is C[C@@H]1[C@H](c2ccccc2)N(C(=O)[C@H]2Cc3ccccc3CN2)C(=O)N1C.
What is the InChIKey of (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one?
The InChIKey is ZEAWNBZXLDGSOV-NIKGAXFTSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-14-19(15-8-4-3-5-9-15)24(21(26)23(14)2)20(25)18-12-16-10-6-7-11-17(16)13-22-18/h3-11,14,18-19,22H,12-13H2,1-2H3/t14-,18-,19-/m1/s1.
What are the key properties of (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one?
(4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one has a molecular weight of 349.43 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-1,5-dimethyl-4-phenyl-3-[(3R)-1,2,3,4-tetrahydroisoquinoline-3-carbonyl]imidazolidin-2-one is sourced from PubChem (CID 10712775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).