ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

C24H27N3O2Si — CID 70827639

IUPACethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SMILESCCOC(=O)c1ncn2c1[C@@H](C)N=C(c1ccccc1)c1cc([Si](C)(C)C)ccc1-2
InChIInChI=1S/C24H27N3O2Si/c1-6-29-24(28)22-23-16(2)26-21(17-10-8-7-9-11-17)19-14-18(30(3,4)5)12-13-20(19)27(23)15-25-22/h7-16H,6H2,1-5H3/t16-/m1/s1
InChIKeyWUBSJVZHBCTGGW-MRXNPFEDSA-N
MW417.59 g/mol
LogP4.51
Rot. Bonds4

About ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate

ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (PubChem CID 70827639) has the molecular formula C24H27N3O2Si and a molecular weight of 417.59 g/mol. Its IUPAC name is ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.

Molecular Properties

Compound Nameethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
PubChem CID70827639
Molecular FormulaC24H27N3O2Si
Molecular Weight417.59 g/mol
Exact Mass417.19
IUPAC Nameethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
SMILESCCOC(=O)c1ncn2c1[C@@H](C)N=C(c1ccccc1)c1cc([Si](C)(C)C)ccc1-2
InChIInChI=1S/C24H27N3O2Si/c1-6-29-24(28)22-23-16(2)26-21(17-10-8-7-9-11-17)19-14-18(30(3,4)5)12-13-20(19)27(23)15-25-22/h7-16H,6H2,1-5H3/t16-/m1/s1
InChIKeyWUBSJVZHBCTGGW-MRXNPFEDSA-N
XLogP4.51
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.59
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-methyl-6-phenyl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 68526010
ethyl 8-fluoro-6-(4-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 53465607
ethyl (4S)-8-ethynyl-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;ethyl (4S)-4-methyl-6-pyridin-2-yl-8-(2-trimethylsilylethynyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 162132386
ethyl 8-methyl-6-phenyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 71207698
ethyl (4R)-8-bromo-4-ethyl-6-(2-fluorophenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate
CID 42603927
2-[[8-ethynyl-4-methyl-6-(2-methylphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]peroxy]ethoxymethoxymethyl 8-ethynyl-4-methyl-6-(2-methylphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate;2-[[4-ethynyl-9-methyl-7-(2-methylphenyl)-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,7,10,12-pentaen-11-yl]peroxy]ethoxymethoxymethyl 4-ethynyl-9-methyl-7-(2-methylphenyl)-5-thia-1,8,12-triazatricyclo[8.3.0.02,6]trideca-2(6),3,7,10,12-pentaene-11-carboxylate
CID 158462426
(4R)-6-(2-bromophenyl)-8-ethynyl-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 130439863
ethane;(4S)-8-ethynyl-4-methyl-6-(2-methylphenyl)-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 177189609
1-[(4R)-8-bromo-6-(2-fluorophenyl)-4-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-3-yl]ethanone
CID 167573068
(4S)-8-ethynyl-4-methyl-6-pyridin-2-yl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxamide
CID 130439791
ethyl (2E)-2-[(3S)-7-bromo-1-ethyl-3-methyl-5-phenyl-3H-1,4-benzodiazepin-2-ylidene]propanoate
CID 70927898
ethyl (7S)-15-methyl-12-oxo-2,4,11-triazatetracyclo[11.4.0.02,6.07,11]heptadeca-1(17),3,5,13,15-pentaene-5-carboxylate
CID 54457585

Frequently Asked Questions

What is the IUPAC name of ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate?
The IUPAC name of ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate (CID 70827639) is ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate.
What is the SMILES notation for ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate?
The canonical SMILES for ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate is CCOC(=O)c1ncn2c1[C@@H](C)N=C(c1ccccc1)c1cc([Si](C)(C)C)ccc1-2.
What is the InChIKey of ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate?
The InChIKey is WUBSJVZHBCTGGW-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N3O2Si/c1-6-29-24(28)22-23-16(2)26-21(17-10-8-7-9-11-17)19-14-18(30(3,4)5)12-13-20(19)27(23)15-25-22/h7-16H,6H2,1-5H3/t16-/m1/s1.
What are the key properties of ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate?
ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate has a molecular weight of 417.59 g/mol, XLogP of 4.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R)-4-methyl-6-phenyl-8-trimethylsilyl-4H-imidazo[1,5-a][1,4]benzodiazepine-3-carboxylate is sourced from PubChem (CID 70827639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).