2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole

C23H29N3O2 — CID 18687548

IUPAC2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(OC2CCNC(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-2-27-15-14-26-22-11-7-6-10-21(22)25-23(26)28-20-12-13-24-19(17-20)16-18-8-4-3-5-9-18/h3-11,19-20,24H,2,12-17H2,1H3
InChIKeyYIBRJUVTPFDVHU-UHFFFAOYSA-N
MW379.50 g/mol
LogP3.81
Rot. Bonds8

About 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole

2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole (PubChem CID 18687548) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole.

Molecular Properties

Compound Name2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole
PubChem CID18687548
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole
SMILESCCOCCn1c(OC2CCNC(Cc3ccccc3)C2)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-2-27-15-14-26-22-11-7-6-10-21(22)25-23(26)28-20-12-13-24-19(17-20)16-18-8-4-3-5-9-18/h3-11,19-20,24H,2,12-17H2,1H3
InChIKeyYIBRJUVTPFDVHU-UHFFFAOYSA-N
XLogP3.81
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole 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-(2-benzylpiperidin-4-yl)-1-methylbenzimidazol-2-amine
CID 18687492
2-benzyl-4-(4-chlorophenoxy)piperidine
CID 173301452
1-(2-ethoxyethyl)-N-[1-(2-ethoxyethyl)piperidin-4-yl]benzimidazol-2-amine
CID 15718965
3-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]propan-1-ol
CID 121452091
1-(2-ethoxyethyl)-2-(1-methylpiperazin-1-ium-1-yl)benzimidazole
CID 19800100
1-(2-ethoxyethyl)-2-[1-(4-methylphenyl)piperidin-4-yl]benzimidazole
CID 141391428
1-(2-ethoxyethyl)-2-(phenoxymethyl)benzimidazole
CID 3326466
1-cyclopropyl-4-[1-(2-ethoxyethyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 16965168
(S)-[1-(2-ethoxyethyl)benzimidazol-2-yl]-phenylmethanol
CID 6998450
2-[4-[2-[4-[1-(2-ethoxyethyl)benzimidazol-2-yl]piperidin-1-yl]ethyl]phenyl]-2-methylpropanoic acid;dihydrate
CID 140940128
(3S)-1-[1-(2-ethoxyethyl)benzimidazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 46889258
2-[2-[4-[1-(2-ethoxyethyl)benzimidazole-2-carbonyl]piperidin-1-yl]ethoxy]acetic acid
CID 131718829

Frequently Asked Questions

What is the IUPAC name of 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole?
The IUPAC name of 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole (CID 18687548) is 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole.
What is the SMILES notation for 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole?
The canonical SMILES for 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole is CCOCCn1c(OC2CCNC(Cc3ccccc3)C2)nc2ccccc21.
What is the InChIKey of 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole?
The InChIKey is YIBRJUVTPFDVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-27-15-14-26-22-11-7-6-10-21(22)25-23(26)28-20-12-13-24-19(17-20)16-18-8-4-3-5-9-18/h3-11,19-20,24H,2,12-17H2,1H3.
What are the key properties of 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole?
2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole has a molecular weight of 379.50 g/mol, XLogP of 3.81, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-benzylpiperidin-4-yl)oxy-1-(2-ethoxyethyl)benzimidazole is sourced from PubChem (CID 18687548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).