7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide

C28H33N5O3 — CID 66660313

IUPAC7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CCN(C(=O)c1ccccc1)CC2)C(C)(C)C
InChIInChI=1S/C28H33N5O3/c1-28(2,3)23(26(35)29-4)31-25(34)22-21-15-16-32(27(36)20-13-9-6-10-14-20)17-18-33(21)24(30-22)19-11-7-5-8-12-19/h5-14,23H,15-18H2,1-4H3,(H,29,35)(H,31,34)
InChIKeyFRFKDUBNMUZVQT-UHFFFAOYSA-N
MW487.60 g/mol
LogP3.14
Rot. Bonds5

About 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide

7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide (PubChem CID 66660313) has the molecular formula C28H33N5O3 and a molecular weight of 487.60 g/mol. Its IUPAC name is 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide.

Molecular Properties

Compound Name7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide
PubChem CID66660313
Molecular FormulaC28H33N5O3
Molecular Weight487.60 g/mol
Exact Mass487.26
IUPAC Name7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide
SMILESCNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CCN(C(=O)c1ccccc1)CC2)C(C)(C)C
InChIInChI=1S/C28H33N5O3/c1-28(2,3)23(26(35)29-4)31-25(34)22-21-15-16-32(27(36)20-13-9-6-10-14-20)17-18-33(21)24(30-22)19-11-7-5-8-12-19/h5-14,23H,15-18H2,1-4H3,(H,29,35)(H,31,34)
InChIKeyFRFKDUBNMUZVQT-UHFFFAOYSA-N
XLogP3.14
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.60
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide with MolForge

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Related Compounds

tert-butyl 1-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-7-carboxylate
CID 66660185
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-methylpropyl)-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide
CID 66660410
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2,2-dimethylpropyl)-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66931901
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-propan-2-ylsulfonyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66931916
tert-butyl 1-[[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-3-phenyl-5,6,7,9-tetrahydroimidazo[1,5-a][1,4]diazepine-8-carboxylate
CID 66931918
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-pyrazin-2-yl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66932322
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-[(1-methylpyrrol-2-yl)methyl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66932216
N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-7-(pyrimidin-5-ylmethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 25128655
7-(6-chloropyrazin-2-yl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 76571549
7-benzoyl-3-phenyl-N-(1-phenylethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66932336
N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-7-(2-nitrophenyl)sulfonyl-3-phenyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-1-carboxamide
CID 66931726
3-(3,4-difluorophenyl)-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-1-carboxamide
CID 66660457

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide?
The IUPAC name of 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide (CID 66660313) is 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide.
What is the SMILES notation for 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide?
The canonical SMILES for 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide is CNC(=O)C(NC(=O)c1nc(-c2ccccc2)n2c1CCN(C(=O)c1ccccc1)CC2)C(C)(C)C.
What is the InChIKey of 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide?
The InChIKey is FRFKDUBNMUZVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3/c1-28(2,3)23(26(35)29-4)31-25(34)22-21-15-16-32(27(36)20-13-9-6-10-14-20)17-18-33(21)24(30-22)19-11-7-5-8-12-19/h5-14,23H,15-18H2,1-4H3,(H,29,35)(H,31,34).
What are the key properties of 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide?
7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide has a molecular weight of 487.60 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-N-[3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-3-phenyl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1-carboxamide is sourced from PubChem (CID 66660313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).