N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

C18H17N3O4 — CID 4881578

IUPACN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17N3O4/c22-10-17-20-13-3-1-2-4-14(13)21(17)9-18(23)19-8-12-5-6-15-16(7-12)25-11-24-15/h1-7,22H,8-11H2,(H,19,23)
InChIKeyXOWISAOEHKIDCE-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.57
Rot. Bonds5

About N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide

N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (PubChem CID 4881578) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
PubChem CID4881578
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC NameN-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide
SMILESO=C(Cn1c(CO)nc2ccccc21)NCc1ccc2c(c1)OCO2
InChIInChI=1S/C18H17N3O4/c22-10-17-20-13-3-1-2-4-14(13)21(17)9-18(23)19-8-12-5-6-15-16(7-12)25-11-24-15/h1-7,22H,8-11H2,(H,19,23)
InChIKeyXOWISAOEHKIDCE-UHFFFAOYSA-N
XLogP1.57
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide (CID 4881578) is N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is O=C(Cn1c(CO)nc2ccccc21)NCc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
The InChIKey is XOWISAOEHKIDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O4/c22-10-17-20-13-3-1-2-4-14(13)21(17)9-18(23)19-8-12-5-6-15-16(7-12)25-11-24-15/h1-7,22H,8-11H2,(H,19,23).
What are the key properties of N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide?
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide has a molecular weight of 339.35 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(hydroxymethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 4881578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).