N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide

C19H21N3O2 — CID 17499528

IUPACN-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-2-24-16-10-8-15(9-11-16)19(23)20-12-5-13-22-14-21-17-6-3-4-7-18(17)22/h3-4,6-11,14H,2,5,12-13H2,1H3,(H,20,23)
InChIKeyFEDCFQZBFLQKKT-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.26
Rot. Bonds7

About N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide

N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide (PubChem CID 17499528) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
PubChem CID17499528
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1
InChIInChI=1S/C19H21N3O2/c1-2-24-16-10-8-15(9-11-16)19(23)20-12-5-13-22-14-21-17-6-3-4-7-18(17)22/h3-4,6-11,14H,2,5,12-13H2,1H3,(H,20,23)
InChIKeyFEDCFQZBFLQKKT-UHFFFAOYSA-N
XLogP3.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-(benzimidazol-1-yl)propyl]-4-methylsulfonylbenzamide
CID 51221971
4-(acetamidomethyl)-N-[3-(benzimidazol-1-yl)propyl]benzamide
CID 17486518
N-[3-(benzimidazol-1-yl)propyl]-2-(4-ethoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55615670
N-[3-(benzimidazol-1-yl)propyl]-3-bromo-4-methoxybenzamide
CID 40718918
N-[3-(benzimidazol-1-yl)propyl]-3-(methoxymethyl)benzamide
CID 51222006
N-[3-(benzimidazol-1-yl)propyl]-2,6-difluorobenzamide
CID 86912487
N-[3-(benzimidazol-1-yl)propyl]-4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 55407936
N-[3-(benzimidazol-1-yl)propyl]-2,2-dimethylpropanamide
CID 47127030
4-[(4-ethoxyphenyl)sulfamoyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]benzamide
CID 55394943
N-[3-(benzimidazol-1-yl)propyl]-2-(2-methoxyethylamino)acetamide;dihydrochloride
CID 119834602
(2R)-N-[3-(benzimidazol-1-yl)propyl]-2-(4-cyanophenoxy)propanamide
CID 40718916
N-[3-(benzimidazol-1-yl)propyl]-2-propan-2-yloxyacetamide
CID 47412640

Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide (CID 17499528) is N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide is CCOc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide?
The InChIKey is FEDCFQZBFLQKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-2-24-16-10-8-15(9-11-16)19(23)20-12-5-13-22-14-21-17-6-3-4-7-18(17)22/h3-4,6-11,14H,2,5,12-13H2,1H3,(H,20,23).
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide?
N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide has a molecular weight of 323.40 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-4-ethoxybenzamide is sourced from PubChem (CID 17499528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).