(5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione

C22H24N4O3 — CID 94380779

IUPAC(5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1cc2ncn(C[C@H](O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2cc1C
InChIInChI=1S/C22H24N4O3/c1-14-9-18-19(10-15(14)2)25(13-23-18)11-17(27)12-26-20(28)22(3,24-21(26)29)16-7-5-4-6-8-16/h4-10,13,17,27H,11-12H2,1-3H3,(H,24,29)/t17-,22-/m0/s1
InChIKeyZCFSHFRHTLRPLK-JTSKRJEESA-N
MW392.46 g/mol
LogP2.48
Rot. Bonds5

About (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione

(5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione (PubChem CID 94380779) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione
PubChem CID94380779
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name(5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione
SMILESCc1cc2ncn(C[C@H](O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2cc1C
InChIInChI=1S/C22H24N4O3/c1-14-9-18-19(10-15(14)2)25(13-23-18)11-17(27)12-26-20(28)22(3,24-21(26)29)16-7-5-4-6-8-16/h4-10,13,17,27H,11-12H2,1-3H3,(H,24,29)/t17-,22-/m0/s1
InChIKeyZCFSHFRHTLRPLK-JTSKRJEESA-N
XLogP2.48
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione (CID 94380779) is (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione is Cc1cc2ncn(C[C@H](O)CN3C(=O)N[C@@](C)(c4ccccc4)C3=O)c2cc1C.
What is the InChIKey of (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
The InChIKey is ZCFSHFRHTLRPLK-JTSKRJEESA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-9-18-19(10-15(14)2)25(13-23-18)11-17(27)12-26-20(28)22(3,24-21(26)29)16-7-5-4-6-8-16/h4-10,13,17,27H,11-12H2,1-3H3,(H,24,29)/t17-,22-/m0/s1.
What are the key properties of (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione?
(5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione has a molecular weight of 392.46 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[(2S)-3-(5,6-dimethylbenzimidazol-1-yl)-2-hydroxypropyl]-5-methyl-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 94380779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).