N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide

C11H13N3O3 — CID 79679920

IUPACN-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
SMILESCOCCONC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H13N3O3/c1-16-4-5-17-14-11(15)8-2-3-9-10(6-8)13-7-12-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyYTWOFQKZTWXQEJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.87
Rot. Bonds5

About N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide

N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide (PubChem CID 79679920) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
PubChem CID79679920
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC NameN-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide
SMILESCOCCONC(=O)c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H13N3O3/c1-16-4-5-17-14-11(15)8-2-3-9-10(6-8)13-7-12-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)(H,14,15)
InChIKeyYTWOFQKZTWXQEJ-UHFFFAOYSA-N
XLogP0.87
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3H-benzimidazole-5-carbonylamino)oxyacetic acid
CID 63913822
N-(2-methylpropoxy)-3H-benzimidazole-5-carboxamide
CID 113304625
3-methoxypropyl 3H-benzimidazole-5-carboxylate
CID 126834067
N-[(2-methylpropan-2-yl)oxy]-3H-benzimidazole-5-carboxamide
CID 82725393
N-[3-(2-methoxyethoxy)propyl]-3H-benzimidazole-5-carboxamide
CID 60668649
methyl (2S)-3-(3H-benzimidazole-5-carbonylamino)-2-(methylamino)propanoate
CID 170637256
N,N-bis(2-methoxyethyl)-3H-benzimidazole-5-carboxamide
CID 43397885
methyl (2S)-2-amino-3-(3H-benzimidazole-5-carbonylamino)propanoate
CID 170637258
N-(6-methylheptan-2-yl)-3H-benzimidazole-5-carboxamide
CID 47105831
N-(2-amino-2-oxoethyl)-3H-benzimidazole-5-carboxamide
CID 43400555
N-(2-acetamidoethyl)-3H-benzimidazole-5-carboxamide
CID 43397895
N-[2-(4-oxopentanoylamino)ethyl]-3H-benzimidazole-5-carboxamide
CID 108542186

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide (CID 79679920) is N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide is COCCONC(=O)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide?
The InChIKey is YTWOFQKZTWXQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-16-4-5-17-14-11(15)8-2-3-9-10(6-8)13-7-12-9/h2-3,6-7H,4-5H2,1H3,(H,12,13)(H,14,15).
What are the key properties of N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide?
N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide has a molecular weight of 235.24 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 79679920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).