ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate

C20H30N4O2 — CID 143063190

IUPACethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(NCCCN1CCCCC1)n2CC
InChIInChI=1S/C20H30N4O2/c1-3-24-18-10-9-16(19(25)26-4-2)15-17(18)22-20(24)21-11-8-14-23-12-6-5-7-13-23/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,22)
InChIKeyZWGPCIOARWFEGF-UHFFFAOYSA-N
MW358.49 g/mol
LogP3.52
Rot. Bonds8

About ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate

ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate (PubChem CID 143063190) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate
PubChem CID143063190
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Nameethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)nc(NCCCN1CCCCC1)n2CC
InChIInChI=1S/C20H30N4O2/c1-3-24-18-10-9-16(19(25)26-4-2)15-17(18)22-20(24)21-11-8-14-23-12-6-5-7-13-23/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,22)
InChIKeyZWGPCIOARWFEGF-UHFFFAOYSA-N
XLogP3.52
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate 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

ethyl 3-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]-2-[3-(4-methylpiperazin-1-yl)propylamino]benzimidazole-5-carboxylate
CID 24799094
ethyl 2-[2-(cycloheptylamino)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-carboxylate
CID 7845856
ethyl 1-ethyl-2-[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl]sulfanylbenzimidazole-5-carboxylate
CID 4813972
ethyl 1-ethyl-2-[2-(methylamino)-2-oxoethyl]sulfanylbenzimidazole-5-carboxylate
CID 3987529
ethyl 2-(4-methoxyphenyl)-1-[3-(2-oxopyrrolidin-1-yl)propyl]benzimidazole-5-carboxylate
CID 139082940
ethyl 2-(2,2-diphenylethyl)-1-ethylbenzimidazole-5-carboxylate
CID 7996375
ethyl 1-ethyl-2-[1-(4-fluorophenyl)cyclopentyl]benzimidazole-5-carboxylate
CID 4848495
ethyl 2-[(4-tert-butylphenoxy)methyl]-1-ethylbenzimidazole-5-carboxylate
CID 4291889
ethyl 3-ethyl-2-methylbenzimidazole-5-carboxylate
CID 5297383
methyl 2-methyl-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxylate
CID 133432183
ethyl 1-ethyl-2-(3-hydroxy-4-methoxyphenyl)benzimidazole-5-carboxylate
CID 39904014
methyl 1,2-diethylbenzimidazole-5-carboxylate
CID 167201887

Frequently Asked Questions

What is the IUPAC name of ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate?
The IUPAC name of ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate (CID 143063190) is ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate.
What is the SMILES notation for ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate?
The canonical SMILES for ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate is CCOC(=O)c1ccc2c(c1)nc(NCCCN1CCCCC1)n2CC.
What is the InChIKey of ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate?
The InChIKey is ZWGPCIOARWFEGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c1-3-24-18-10-9-16(19(25)26-4-2)15-17(18)22-20(24)21-11-8-14-23-12-6-5-7-13-23/h9-10,15H,3-8,11-14H2,1-2H3,(H,21,22).
What are the key properties of ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate?
ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate has a molecular weight of 358.49 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-ethyl-2-(3-piperidin-1-ylpropylamino)benzimidazole-5-carboxylate is sourced from PubChem (CID 143063190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).