1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C20H23N3O3 — CID 70764381

IUPAC1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3C)ccc21
InChIInChI=1S/C20H23N3O3/c1-3-26-11-10-23-18-9-8-15(12-17(18)22-20(23)25)19(24)21-13-16-7-5-4-6-14(16)2/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMZTJFVUOYKCCAS-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.60
Rot. Bonds7

About 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70764381) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70764381
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Name1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3C)ccc21
InChIInChI=1S/C20H23N3O3/c1-3-26-11-10-23-18-9-8-15(12-17(18)22-20(23)25)19(24)21-13-16-7-5-4-6-14(16)2/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyMZTJFVUOYKCCAS-UHFFFAOYSA-N
XLogP2.60
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 70764381) is 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3ccccc3C)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is MZTJFVUOYKCCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-3-26-11-10-23-18-9-8-15(12-17(18)22-20(23)25)19(24)21-13-16-7-5-4-6-14(16)2/h4-9,12H,3,10-11,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 353.42 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-[(2-methylphenyl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70764381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).