1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one

C18H28N4O2 — CID 118743925

IUPAC1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(CC2CCOCC2)Cc2nccn2C1
InChIInChI=1S/C18H28N4O2/c23-18-2-1-6-22(18)13-16-11-20(10-15-3-8-24-9-4-15)14-17-19-5-7-21(17)12-16/h5,7,15-16H,1-4,6,8-14H2
InChIKeyMWQFVQGOHZVOPI-UHFFFAOYSA-N
MW332.45 g/mol
LogP1.36
Rot. Bonds4

About 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one

1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (PubChem CID 118743925) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
PubChem CID118743925
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(CC2CCOCC2)Cc2nccn2C1
InChIInChI=1S/C18H28N4O2/c23-18-2-1-6-22(18)13-16-11-20(10-15-3-8-24-9-4-15)14-17-19-5-7-21(17)12-16/h5,7,15-16H,1-4,6,8-14H2
InChIKeyMWQFVQGOHZVOPI-UHFFFAOYSA-N
XLogP1.36
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (CID 118743925) is 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CN(CC2CCOCC2)Cc2nccn2C1.
What is the InChIKey of 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The InChIKey is MWQFVQGOHZVOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-18-2-1-6-22(18)13-16-11-20(10-15-3-8-24-9-4-15)14-17-19-5-7-21(17)12-16/h5,7,15-16H,1-4,6,8-14H2.
What are the key properties of 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one has a molecular weight of 332.45 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118743925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).