N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

C20H18N4O4 — CID 2999103

IUPACN-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C20H18N4O4/c25-18-9-12(19(26)23-20-21-14-3-1-2-4-15(14)22-20)11-24(18)13-5-6-16-17(10-13)28-8-7-27-16/h1-6,10,12H,7-9,11H2,(H2,21,22,23,26)
InChIKeyHOVHYFQFZWILHH-UHFFFAOYSA-N
MW378.39 g/mol
LogP2.33
Rot. Bonds3

About N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide

N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 2999103) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
PubChem CID2999103
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC NameN-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
SMILESO=C(Nc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C20H18N4O4/c25-18-9-12(19(26)23-20-21-14-3-1-2-4-15(14)22-20)11-24(18)13-5-6-16-17(10-13)28-8-7-27-16/h1-6,10,12H,7-9,11H2,(H2,21,22,23,26)
InChIKeyHOVHYFQFZWILHH-UHFFFAOYSA-N
XLogP2.33
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide (CID 2999103) is N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is O=C(Nc1nc2ccccc2[nH]1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is HOVHYFQFZWILHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c25-18-9-12(19(26)23-20-21-14-3-1-2-4-15(14)22-20)11-24(18)13-5-6-16-17(10-13)28-8-7-27-16/h1-6,10,12H,7-9,11H2,(H2,21,22,23,26).
What are the key properties of N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide?
N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 2999103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).