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

C16H25N5O2 — CID 118741152

IUPACN-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c1-13(22)18-8-16(23)21-11-14(9-19-5-2-3-6-19)10-20-7-4-17-15(20)12-21/h4,7,14H,2-3,5-6,8-12H2,1H3,(H,18,22)
InChIKeyKVYHIPJODYOHDS-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.07
Rot. Bonds4

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

N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide (PubChem CID 118741152) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
PubChem CID118741152
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC NameN-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide
SMILESCC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCCC2)C1
InChIInChI=1S/C16H25N5O2/c1-13(22)18-8-16(23)21-11-14(9-19-5-2-3-6-19)10-20-7-4-17-15(20)12-21/h4,7,14H,2-3,5-6,8-12H2,1H3,(H,18,22)
InChIKeyKVYHIPJODYOHDS-UHFFFAOYSA-N
XLogP0.07
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The IUPAC name of 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) is N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-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-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The canonical SMILES for N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is CC(=O)NCC(=O)N1Cc2nccn2CC(CN2CCCC2)C1.
What is the InChIKey of N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
The InChIKey is KVYHIPJODYOHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-13(22)18-8-16(23)21-11-14(9-19-5-2-3-6-19)10-20-7-4-17-15(20)12-21/h4,7,14H,2-3,5-6,8-12H2,1H3,(H,18,22).
What are the key properties of N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide?
N-[2-oxo-2-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide has a molecular weight of 319.41 g/mol, XLogP of 0.07, 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-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethyl]acetamide is sourced from PubChem (CID 118741152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).