7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione

C21H30N4O3 — CID 132937259

IUPAC7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
SMILESCC12CCN(Cc3ccccc3)CCN1C(=O)N(CCN1CCOCC1)C2=O
InChIInChI=1S/C21H30N4O3/c1-21-7-8-23(17-18-5-3-2-4-6-18)10-12-25(21)20(27)24(19(21)26)11-9-22-13-15-28-16-14-22/h2-6H,7-17H2,1H3
InChIKeyKSKFKRJLPVYPAB-UHFFFAOYSA-N
MW386.50 g/mol
LogP1.25
Rot. Bonds5

About 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione

7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione (PubChem CID 132937259) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione.

Molecular Properties

Compound Name7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
PubChem CID132937259
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
SMILESCC12CCN(Cc3ccccc3)CCN1C(=O)N(CCN1CCOCC1)C2=O
InChIInChI=1S/C21H30N4O3/c1-21-7-8-23(17-18-5-3-2-4-6-18)10-12-25(21)20(27)24(19(21)26)11-9-22-13-15-28-16-14-22/h2-6H,7-17H2,1H3
InChIKeyKSKFKRJLPVYPAB-UHFFFAOYSA-N
XLogP1.25
TPSA56.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[(2,5-Difluorophenyl)methyl]-1-(2-methoxyethyl)-3-methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 124072216
3-Morpholin-4-yl-1-(1-phenylethyl)pyrrolidine-2,5-dione
CID 2985050
3-Morpholin-4-yl-1-benzylazolidine-2,5-dione
CID 2947986
(2S,5aS,8aR)-6-[(4-fluorophenyl)methyl]-1-methyl-2-(3-morpholin-4-yl-3-oxopropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45360784
1-(2-methoxyethyl)-3-(2-phenylethyl)-8-[(2E)-3-phenyl-2-propen-1-yl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133395
(2S,5aS,8aR)-6-benzyl-1-methyl-2-(3-morpholin-4-yl-3-oxopropyl)-3,4,5a,7,8,8a-hexahydro-2H-pyrrolo[3,2-e][1,4]diazepin-5-one
CID 45361080
3-(4-Fluorobenzyl)-8-(2-morpholino-2-oxoethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 16809379
4-[1-[(4-fluorophenyl)methyl]-2-oxopyrrolidin-3-yl]-N-(2-methoxyethyl)-1,4-diazepane-1-carboxamide
CID 53195119
8-benzyl-3-[(E)-3-(2-fluorophenyl)prop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59169763
8-Benzyl-3-[3-(2-fluorophenyl)prop-2-enyl]-1-(2-methoxyethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 72236766
1-(4-Methylbenzyl)-3-(morpholin-4-yl)pyrrolidine-2,5-dione
CID 6458645
8-Benzyl-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 271995

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The IUPAC name of 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione (CID 132937259) is 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione.
What is the SMILES notation for 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The canonical SMILES for 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione is CC12CCN(Cc3ccccc3)CCN1C(=O)N(CCN1CCOCC1)C2=O.
What is the InChIKey of 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The InChIKey is KSKFKRJLPVYPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-21-7-8-23(17-18-5-3-2-4-6-18)10-12-25(21)20(27)24(19(21)26)11-9-22-13-15-28-16-14-22/h2-6H,7-17H2,1H3.
What are the key properties of 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione has a molecular weight of 386.50 g/mol, XLogP of 1.25, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-9a-methyl-2-(2-morpholin-4-ylethyl)-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione is sourced from PubChem (CID 132937259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).