N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide

C16H23N5O3 — CID 118740932

IUPACN-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCCC2=O)C1
InChIInChI=1S/C16H23N5O3/c1-12(22)18-7-16(24)21-10-13(9-20-5-2-3-15(20)23)8-19-6-4-17-14(19)11-21/h4,6,13H,2-3,5,7-11H2,1H3,(H,18,22)
InChIKeyHDLQMPIDLQKQNY-UHFFFAOYSA-N
MW333.39 g/mol
LogP-0.40
Rot. Bonds4

About N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide

N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (PubChem CID 118740932) has the molecular formula C16H23N5O3 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
PubChem CID118740932
Molecular FormulaC16H23N5O3
Molecular Weight333.39 g/mol
Exact Mass333.18
IUPAC NameN-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCCC2=O)C1
InChIInChI=1S/C16H23N5O3/c1-12(22)18-7-16(24)21-10-13(9-20-5-2-3-15(20)23)8-19-6-4-17-14(19)11-21/h4,6,13H,2-3,5,7-11H2,1H3,(H,18,22)
InChIKeyHDLQMPIDLQKQNY-UHFFFAOYSA-N
XLogP-0.40
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 5-0.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(cyclopropanecarbonylamino)-N-[2-[2-(dimethylamino)ethylcarbamoyl]-1-methylimidazol-4-yl]-1-methylimidazole-2-carboxamide
CID 10386380
[1-Oxo-1-[4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-2-yl]urea
CID 56778643
3-Methyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-pyrrolidin-1-ylbutan-1-one
CID 56802160
N-({(2S,4S)-4-fluoro-1-[4-(2-methyl-1H-imidazol-1-yl)butanoyl]pyrrolidin-2-yl}methyl)-3-methylbutanamide
CID 70755207
1-[[8-(Morpholine-4-carbonyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 118739599
1-[(8-Methylsulfonyl-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl)methyl]pyrrolidin-2-one
CID 118739605
2-Cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 118740929
N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
CID 118741152
N-propan-2-yl-6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepine-8-carboxamide
CID 118744932
N-[2-[6-[[methyl(propan-2-yl)amino]methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]-2-oxoethyl]acetamide
CID 118744938
5,5-Dimethyl-3-[2-(2-methylimidazol-1-yl)ethyl]imidazolidine-2,4-dione
CID 137638750
5,5-Dimethyl-3-[2-(2-propan-2-ylimidazol-1-yl)ethyl]imidazolidine-2,4-dione
CID 137658571

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The IUPAC name of N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (CID 118740932) is N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is CC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCCC2=O)C1.
What is the InChIKey of N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The InChIKey is HDLQMPIDLQKQNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O3/c1-12(22)18-7-16(24)21-10-13(9-20-5-2-3-15(20)23)8-19-6-4-17-14(19)11-21/h4,6,13H,2-3,5,7-11H2,1H3,(H,18,22).
What are the key properties of N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide has a molecular weight of 333.39 g/mol, XLogP of -0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[6-[(2-oxopyrrolidin-1-yl)methyl]-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is sourced from PubChem (CID 118740932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).