1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

C16H19N5O4 — CID 70738128

IUPAC1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCc3nnc(C)o3)ccc21
InChIInChI=1S/C16H19N5O4/c1-3-24-7-6-21-13-5-4-11(8-12(13)18-16(21)23)15(22)17-9-14-20-19-10(2)25-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyULZXDMRTQFQGAI-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.99
Rot. Bonds7

About 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide

1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (PubChem CID 70738128) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
PubChem CID70738128
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
SMILESCCOCCn1c(=O)[nH]c2cc(C(=O)NCc3nnc(C)o3)ccc21
InChIInChI=1S/C16H19N5O4/c1-3-24-7-6-21-13-5-4-11(8-12(13)18-16(21)23)15(22)17-9-14-20-19-10(2)25-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,22)(H,18,23)
InChIKeyULZXDMRTQFQGAI-UHFFFAOYSA-N
XLogP0.99
TPSA115.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The IUPAC name of 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide (CID 70738128) is 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is CCOCCn1c(=O)[nH]c2cc(C(=O)NCc3nnc(C)o3)ccc21.
What is the InChIKey of 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
The InChIKey is ULZXDMRTQFQGAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-3-24-7-6-21-13-5-4-11(8-12(13)18-16(21)23)15(22)17-9-14-20-19-10(2)25-14/h4-5,8H,3,6-7,9H2,1-2H3,(H,17,22)(H,18,23).
What are the key properties of 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide?
1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide has a molecular weight of 345.36 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 70738128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).