7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione

C26H24N4O3 — CID 155902456

IUPAC7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
SMILESO=C(c1ccccc1)N1CCN2C(=O)N(c3cccnc3)C(=O)C2(Cc2ccccc2)CC1
InChIInChI=1S/C26H24N4O3/c31-23(21-10-5-2-6-11-21)28-15-13-26(18-20-8-3-1-4-9-20)24(32)30(22-12-7-14-27-19-22)25(33)29(26)17-16-28/h1-12,14,19H,13,15-18H2
InChIKeyBPUSBOPZMXQLLD-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.38
Rot. Bonds4

About 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione

7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione (PubChem CID 155902456) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione.

Molecular Properties

Compound Name7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
PubChem CID155902456
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC Name7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
SMILESO=C(c1ccccc1)N1CCN2C(=O)N(c3cccnc3)C(=O)C2(Cc2ccccc2)CC1
InChIInChI=1S/C26H24N4O3/c31-23(21-10-5-2-6-11-21)28-15-13-26(18-20-8-3-1-4-9-20)24(32)30(22-12-7-14-27-19-22)25(33)29(26)17-16-28/h1-12,14,19H,13,15-18H2
InChIKeyBPUSBOPZMXQLLD-UHFFFAOYSA-N
XLogP3.38
TPSA73.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

7,9a-dibenzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione
CID 155902723
phenyl-[4-(pyridine-4-carbonyl)piperazin-1-yl]methanone
CID 742493
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
2-oxo-2-[4-(pyridine-3-carbonyl)piperazin-1-yl]acetic acid
CID 28706038
(4-benzylpiperidin-1-yl)-pyridin-3-ylmethanone
CID 669081
phenyl-[(3R)-3-(pyridin-3-ylmethoxy)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
CID 97418986
[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 113073695
8-(pyridine-4-carbonyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895861
[4-[(2-chlorophenyl)methyl]-4-(hydroxymethyl)piperidin-1-yl]-pyridin-3-ylmethanone
CID 42215969
[(3S)-1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl]-pyridin-3-ylmethanone
CID 97275128
(8aS)-2-phenyl-7-(pyridine-3-carbonyl)-5,6,8,8a-tetrahydroimidazo[1,5-a]pyrazine-1,3-dione
CID 7673948
[4-(2-phenylethylsulfonyl)piperazin-1-yl]-pyridin-3-ylmethanone
CID 110364647

Frequently Asked Questions

What is the IUPAC name of 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The IUPAC name of 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione (CID 155902456) is 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione.
What is the SMILES notation for 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The canonical SMILES for 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione is O=C(c1ccccc1)N1CCN2C(=O)N(c3cccnc3)C(=O)C2(Cc2ccccc2)CC1.
What is the InChIKey of 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
The InChIKey is BPUSBOPZMXQLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c31-23(21-10-5-2-6-11-21)28-15-13-26(18-20-8-3-1-4-9-20)24(32)30(22-12-7-14-27-19-22)25(33)29(26)17-16-28/h1-12,14,19H,13,15-18H2.
What are the key properties of 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione?
7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione has a molecular weight of 440.50 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzoyl-9a-benzyl-2-pyridin-3-yl-5,6,8,9-tetrahydroimidazo[1,5-d][1,4]diazepine-1,3-dione is sourced from PubChem (CID 155902456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).