N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide

C15H11N3O3 — CID 732183

IUPACN-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H11N3O3/c19-15(9-1-3-11-12(5-9)17-7-16-11)18-10-2-4-13-14(6-10)21-8-20-13/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyMNJZHWWZXOBUSF-UHFFFAOYSA-N
MW281.27 g/mol
LogP2.54
Rot. Bonds2

About N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide

N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide (PubChem CID 732183) has the molecular formula C15H11N3O3 and a molecular weight of 281.27 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide
PubChem CID732183
Molecular FormulaC15H11N3O3
Molecular Weight281.27 g/mol
Exact Mass281.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc2c(c1)OCO2)c1ccc2nc[nH]c2c1
InChIInChI=1S/C15H11N3O3/c19-15(9-1-3-11-12(5-9)17-7-16-11)18-10-2-4-13-14(6-10)21-8-20-13/h1-7H,8H2,(H,16,17)(H,18,19)
InChIKeyMNJZHWWZXOBUSF-UHFFFAOYSA-N
XLogP2.54
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide (CID 732183) is N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc2c(c1)OCO2)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide?
The InChIKey is MNJZHWWZXOBUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N3O3/c19-15(9-1-3-11-12(5-9)17-7-16-11)18-10-2-4-13-14(6-10)21-8-20-13/h1-7H,8H2,(H,16,17)(H,18,19).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide?
N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 732183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).