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

C19H28N4O2 — CID 118739798

IUPAC1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(C(=O)CC2CCCC2)Cc2nccn2C1
InChIInChI=1S/C19H28N4O2/c24-18-6-3-8-22(18)12-16-11-21-9-7-20-17(21)14-23(13-16)19(25)10-15-4-1-2-5-15/h7,9,15-16H,1-6,8,10-14H2
InChIKeyNMASPDHAAXNBQI-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.04
Rot. Bonds4

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

1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (PubChem CID 118739798) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
PubChem CID118739798
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
SMILESO=C1CCCN1CC1CN(C(=O)CC2CCCC2)Cc2nccn2C1
InChIInChI=1S/C19H28N4O2/c24-18-6-3-8-22(18)12-16-11-21-9-7-20-17(21)14-23(13-16)19(25)10-15-4-1-2-5-15/h7,9,15-16H,1-6,8,10-14H2
InChIKeyNMASPDHAAXNBQI-UHFFFAOYSA-N
XLogP2.04
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3,3-Dicyclopropyl-1-[4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]propan-1-one
CID 53622851
1-(cyclopentylcarbonyl)-N-methyl-N-[3-(1-methyl-1H-imidazol-2-yl)propyl]-4-piperidinecarboxamide
CID 72898854
1-(cyclopentylcarbonyl)-N-methyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 72913891
2-Cyclopropyl-1-[6-(pyrrolidin-1-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-8-yl]ethanone
CID 118740929
1-[[8-(Oxan-4-ylmethyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one
CID 118743925
1-{2-[9-isopropyl-6,7-dihydro-5H-imidazo[1,2-a][1,4]diazepin-8(9H)-yl]-2-oxoethyl}-2-pyrrolidinone
CID 124049512
1-[4-[(5-Chloro-1-methylimidazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-cyclopentylethanone
CID 53531091
(4S)-4-(2-methylpropyl)-1-[(1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-2-one
CID 97285920
2-Cyclopentyl-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 128660902
2-[[1-(2,2,2-Trifluoroethyl)imidazol-2-yl]methyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 71879433
N-[1-[2-(2,2-difluorocyclopentyl)acetyl]pyrrolidin-3-yl]-1-ethyl-N-propylimidazole-2-carboxamide
CID 166297934
N-({1-[(1-ethyl-1H-imidazol-2-yl)methyl]pyrrolidin-3-yl}methyl)cyclohexanecarboxamide
CID 56715514

Frequently Asked Questions

What is the IUPAC name of 1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The IUPAC name of 1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one (CID 118739798) is 1-[[8-(2-cyclopentylacetyl)-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-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is O=C1CCCN1CC1CN(C(=O)CC2CCCC2)Cc2nccn2C1.
What is the InChIKey of 1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
The InChIKey is NMASPDHAAXNBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c24-18-6-3-8-22(18)12-16-11-21-9-7-20-17(21)14-23(13-16)19(25)10-15-4-1-2-5-15/h7,9,15-16H,1-6,8,10-14H2.
What are the key properties of 1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one?
1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one has a molecular weight of 344.46 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[8-(2-cyclopentylacetyl)-5,6,7,9-tetrahydroimidazo[1,2-a][1,4]diazepin-6-yl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 118739798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).