N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide

C15H11N3O3 — CID 37144095

IUPACN-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N3O3/c19-15(10-5-6-13-14(7-10)21-9-20-13)17-18-8-16-11-3-1-2-4-12(11)18/h1-8H,9H2,(H,17,19)
InChIKeyCMBSORJSDMBSLG-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.15
Rot. Bonds2

About N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide

N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide (PubChem CID 37144095) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide.

Molecular Properties

Compound NameN-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide
PubChem CID37144095
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC NameN-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide
SMILESO=C(Nn1cnc2ccccc21)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H11N3O3/c19-15(10-5-6-13-14(7-10)21-9-20-13)17-18-8-16-11-3-1-2-4-12(11)18/h1-8H,9H2,(H,17,19)
InChIKeyCMBSORJSDMBSLG-UHFFFAOYSA-N
XLogP2.15
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide?
The IUPAC name of N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide (CID 37144095) is N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide.
What is the SMILES notation for N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide?
The canonical SMILES for N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide is O=C(Nn1cnc2ccccc21)c1ccc2c(c1)OCO2.
What is the InChIKey of N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide?
The InChIKey is CMBSORJSDMBSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-15(10-5-6-13-14(7-10)21-9-20-13)17-18-8-16-11-3-1-2-4-12(11)18/h1-8H,9H2,(H,17,19).
What are the key properties of N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide?
N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzimidazol-1-yl)-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 37144095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).