4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide

C21H25N3O2 — CID 50789489

IUPAC4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-26-15-5-14-22-21(25)17-11-8-16(9-12-17)10-13-20-23-18-6-3-4-7-19(18)24-20/h3-4,6-9,11-12H,2,5,10,13-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyPQHWHVJPJMKKGI-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.50
Rot. Bonds9

About 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide

4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide (PubChem CID 50789489) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide.

Molecular Properties

Compound Name4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide
PubChem CID50789489
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide
SMILESCCOCCCNC(=O)c1ccc(CCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H25N3O2/c1-2-26-15-5-14-22-21(25)17-11-8-16(9-12-17)10-13-20-23-18-6-3-4-7-19(18)24-20/h3-4,6-9,11-12H,2,5,10,13-15H2,1H3,(H,22,25)(H,23,24)
InChIKeyPQHWHVJPJMKKGI-UHFFFAOYSA-N
XLogP3.50
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.50
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-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-butoxybenzamide
CID 4917285
4-(acetamidomethyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 17394585
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-cyclohexylbenzamide
CID 50789505
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-ethoxyacetamide
CID 43229187
4-amino-N-[2-(1H-benzimidazol-2-yl)ethyl]benzamide
CID 110462612
N-[4-[2-(1H-benzimidazol-2-yl)ethylamino]-4-oxobutyl]benzamide
CID 32757779
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(difluoromethoxy)benzamide
CID 27161540
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
2-[2-(4-acetamidophenyl)ethyl]-N-(3-phenylpropyl)-3H-benzimidazole-5-carboxamide
CID 46335013
3-(1H-benzimidazol-2-yl)-N-(3-phenylmethoxypropyl)propanamide
CID 18145899
2-ethyl-N-(3-methoxypropyl)-3H-benzimidazole-5-carboxamide
CID 110765504

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide?
The IUPAC name of 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide (CID 50789489) is 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide.
What is the SMILES notation for 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide?
The canonical SMILES for 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide is CCOCCCNC(=O)c1ccc(CCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide?
The InChIKey is PQHWHVJPJMKKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-2-26-15-5-14-22-21(25)17-11-8-16(9-12-17)10-13-20-23-18-6-3-4-7-19(18)24-20/h3-4,6-9,11-12H,2,5,10,13-15H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide?
4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.50, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1H-benzimidazol-2-yl)ethyl]-N-(3-ethoxypropyl)benzamide is sourced from PubChem (CID 50789489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).