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

C26H23N3O3 — CID 16964735

IUPAC4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H23N3O3/c30-25-14-19(17-28(25)20-10-11-23-24(15-20)32-13-12-31-23)26-27-21-8-4-5-9-22(21)29(26)16-18-6-2-1-3-7-18/h1-11,15,19H,12-14,16-17H2
InChIKeyHZMYBHGJYGGNRS-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.38
Rot. Bonds4

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

4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one (PubChem CID 16964735) has the molecular formula C26H23N3O3 and a molecular weight of 425.49 g/mol. Its IUPAC name is 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
PubChem CID16964735
Molecular FormulaC26H23N3O3
Molecular Weight425.49 g/mol
Exact Mass425.17
IUPAC Name4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one
SMILESO=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc2c(c1)OCCO2
InChIInChI=1S/C26H23N3O3/c30-25-14-19(17-28(25)20-10-11-23-24(15-20)32-13-12-31-23)26-27-21-8-4-5-9-22(21)29(26)16-18-6-2-1-3-7-18/h1-11,15,19H,12-14,16-17H2
InChIKeyHZMYBHGJYGGNRS-UHFFFAOYSA-N
XLogP4.38
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964716
1-(1,3-benzodioxol-5-yl)-4-[1-[(4-tert-butylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964916
1-(1,3-benzodioxol-5-yl)-4-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 16964911
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-methoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964843
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(4-chlorophenyl)pyrrolidin-2-one
CID 40698914
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16964844
1-(1,3-benzodioxol-5-yl)-4-(1-prop-2-enylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964882
1-(1,3-benzodioxol-5-yl)-4-(1-propylbenzimidazol-2-yl)pyrrolidin-2-one
CID 16964878
4-(1-benzylbenzimidazol-2-yl)-1-(3,5-dimethylphenyl)pyrrolidin-2-one
CID 4754232
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 40504936
4-(1-benzylbenzimidazol-2-yl)-1-(4-methoxyphenyl)pyrrolidin-2-one
CID 4242932
1-(4-chlorophenyl)-4-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 18889051

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one?
The IUPAC name of 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one (CID 16964735) is 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one is O=C1CC(c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc2c(c1)OCCO2.
What is the InChIKey of 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one?
The InChIKey is HZMYBHGJYGGNRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3/c30-25-14-19(17-28(25)20-10-11-23-24(15-20)32-13-12-31-23)26-27-21-8-4-5-9-22(21)29(26)16-18-6-2-1-3-7-18/h1-11,15,19H,12-14,16-17H2.
What are the key properties of 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one?
4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one has a molecular weight of 425.49 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzylbenzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-2-one is sourced from PubChem (CID 16964735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).