N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide

C13H15N3O3 — CID 141387496

IUPACN-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide
SMILESC=COCCONC(=O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H15N3O3/c1-3-18-6-7-19-16-13(17)10-4-5-11-12(8-10)15-9(2)14-11/h3-5,8H,1,6-7H2,2H3,(H,14,15)(H,16,17)
InChIKeyXSUHVFGTZZBILY-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.69
Rot. Bonds6

About N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide

N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide (PubChem CID 141387496) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide
PubChem CID141387496
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC NameN-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide
SMILESC=COCCONC(=O)c1ccc2nc(C)[nH]c2c1
InChIInChI=1S/C13H15N3O3/c1-3-18-6-7-19-16-13(17)10-4-5-11-12(8-10)15-9(2)14-11/h3-5,8H,1,6-7H2,2H3,(H,14,15)(H,16,17)
InChIKeyXSUHVFGTZZBILY-UHFFFAOYSA-N
XLogP1.69
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide (CID 141387496) is N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide is C=COCCONC(=O)c1ccc2nc(C)[nH]c2c1.
What is the InChIKey of N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide?
The InChIKey is XSUHVFGTZZBILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-3-18-6-7-19-16-13(17)10-4-5-11-12(8-10)15-9(2)14-11/h3-5,8H,1,6-7H2,2H3,(H,14,15)(H,16,17).
What are the key properties of N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide?
N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide has a molecular weight of 261.28 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethenoxyethoxy)-2-methyl-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 141387496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).