N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide

C12H15N3O2 — CID 63184543

IUPACN-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-2-17-8-7-11(16)15-12-13-9-5-3-4-6-10(9)14-12/h3-6H,2,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyGLJYMWWYTDSCEV-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.93
Rot. Bonds5

About N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide

N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide (PubChem CID 63184543) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
PubChem CID63184543
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(1H-benzimidazol-2-yl)-3-ethoxypropanamide
SMILESCCOCCC(=O)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-2-17-8-7-11(16)15-12-13-9-5-3-4-6-10(9)14-12/h3-6H,2,7-8H2,1H3,(H2,13,14,15,16)
InChIKeyGLJYMWWYTDSCEV-UHFFFAOYSA-N
XLogP1.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1H-benzimidazol-2-yl)undecanamide
CID 5093764
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N-(1H-benzimidazol-2-yl)pent-4-enamide
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4-(4-acetylphenoxy)-N-(1H-benzimidazol-2-yl)butanamide
CID 2678988
N-(1H-benzimidazol-2-yl)-4-(propan-2-ylamino)butanamide
CID 63562593
N-(1H-benzimidazol-2-yl)-4-(3-methylphenoxy)butanamide
CID 2472289
2-acetamido-N-(1H-benzimidazol-2-yl)acetamide
CID 60652558
N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
N-(1H-benzimidazol-2-yl)-2-propylsulfonylacetamide
CID 47377841
N-(1H-benzimidazol-2-yl)-2-ethoxyethanesulfonamide
CID 63564272
hexadecyl N-(1H-benzimidazol-2-yl)carbamate
CID 140968781
N-(1H-benzimidazol-2-yl)-3-cyclopentylpropanamide
CID 4659981

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide (CID 63184543) is N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide is CCOCCC(=O)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide?
The InChIKey is GLJYMWWYTDSCEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-2-17-8-7-11(16)15-12-13-9-5-3-4-6-10(9)14-12/h3-6H,2,7-8H2,1H3,(H2,13,14,15,16).
What are the key properties of N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide?
N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide has a molecular weight of 233.27 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-3-ethoxypropanamide is sourced from PubChem (CID 63184543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).