N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide

C19H19N3O4 — CID 4882007

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
SMILESCC(O)c1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19N3O4/c1-12(23)19-21-14-4-2-3-5-15(14)22(19)11-18(24)20-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10,12,23H,8-9,11H2,1H3,(H,20,24)
InChIKeyVVNCCGZZXVZJKP-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.50
Rot. Bonds4

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide (PubChem CID 4882007) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
PubChem CID4882007
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide
SMILESCC(O)c1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19N3O4/c1-12(23)19-21-14-4-2-3-5-15(14)22(19)11-18(24)20-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10,12,23H,8-9,11H2,1H3,(H,20,24)
InChIKeyVVNCCGZZXVZJKP-UHFFFAOYSA-N
XLogP2.50
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide (CID 4882007) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide is CC(O)c1nc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
The InChIKey is VVNCCGZZXVZJKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-12(23)19-21-14-4-2-3-5-15(14)22(19)11-18(24)20-13-6-7-16-17(10-13)26-9-8-25-16/h2-7,10,12,23H,8-9,11H2,1H3,(H,20,24).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide has a molecular weight of 353.38 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[2-(1-hydroxyethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4882007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).