1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

C22H23N3O3 — CID 16964716

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c(C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2ccccc21
InChIInChI=1S/C22H23N3O3/c1-2-9-24-18-6-4-3-5-17(18)23-22(24)15-12-21(26)25(14-15)16-7-8-19-20(13-16)28-11-10-27-19/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyNTORJEVDKQYMSC-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.74
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (PubChem CID 16964716) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
PubChem CID16964716
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
SMILESCCCn1c(C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2ccccc21
InChIInChI=1S/C22H23N3O3/c1-2-9-24-18-6-4-3-5-17(18)23-22(24)15-12-21(26)25(14-15)16-7-8-19-20(13-16)28-11-10-27-19/h3-8,13,15H,2,9-12,14H2,1H3
InChIKeyNTORJEVDKQYMSC-UHFFFAOYSA-N
XLogP3.74
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1,3-benzodioxol-5-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964878
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964844
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964843
4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
CID 16964735
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964783
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964765
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964838
1-(4-chlorophenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 3160023
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964873
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964789
1-(3-chloro-4-methylphenyl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16812358
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964792

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one (CID 16964716) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is CCCn1c(C2CC(=O)N(c3ccc4c(c3)OCCO4)C2)nc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
The InChIKey is NTORJEVDKQYMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-2-9-24-18-6-4-3-5-17(18)23-22(24)15-12-21(26)25(14-15)16-7-8-19-20(13-16)28-11-10-27-19/h3-8,13,15H,2,9-12,14H2,1H3.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one is sourced from PubChem (CID 16964716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).