2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

C24H30N4OS — CID 112822452

IUPAC2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCC(SCC(=O)NC1CCN(CCc2ccccc2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H30N4OS/c1-18(24-26-21-9-5-6-10-22(21)27-24)30-17-23(29)25-20-12-15-28(16-13-20)14-11-19-7-3-2-4-8-19/h2-10,18,20H,11-17H2,1H3,(H,25,29)(H,26,27)
InChIKeyWIWGKXQDKHDZRB-UHFFFAOYSA-N
MW422.60 g/mol
LogP4.18
Rot. Bonds8

About 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide

2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (PubChem CID 112822452) has the molecular formula C24H30N4OS and a molecular weight of 422.60 g/mol. Its IUPAC name is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
PubChem CID112822452
Molecular FormulaC24H30N4OS
Molecular Weight422.60 g/mol
Exact Mass422.21
IUPAC Name2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide
SMILESCC(SCC(=O)NC1CCN(CCc2ccccc2)CC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H30N4OS/c1-18(24-26-21-9-5-6-10-22(21)27-24)30-17-23(29)25-20-12-15-28(16-13-20)14-11-19-7-3-2-4-8-19/h2-10,18,20H,11-17H2,1H3,(H,25,29)(H,26,27)
InChIKeyWIWGKXQDKHDZRB-UHFFFAOYSA-N
XLogP4.18
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.60
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide 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

3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-propan-2-ylcyclohexane-1-carboxamide
CID 86961027
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(2-ethylcyclohexyl)acetamide
CID 78864043
N-[2-(aminomethyl)cyclohexyl]-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
CID 119610093
(2R)-2-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]propanoic acid
CID 119369735
3-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]-N-cyclopropylbenzamide
CID 17479561
4-[[2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetyl]amino]butanoic acid
CID 119352431
N-(1-amino-2-methylpropan-2-yl)-2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]acetamide
CID 119522351
oxalic acid;bis(N-[1-(2-phenylethyl)piperidin-4-yl]propanamide)
CID 146470915
oxalic acid;N-[1-(2-phenylethyl)piperidin-4-yl]propanamide
CID 118877840
N-[1-(2-phenylethyl)pyrrolidin-3-yl]-1H-benzimidazol-2-amine
CID 67906630
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-(4-methylphenyl)acetamide
CID 84830739
2-(1H-benzimidazol-2-yl)-N-[(3R)-1-propylpyrrolidin-3-yl]acetamide
CID 126452336

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide (CID 112822452) is 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is CC(SCC(=O)NC1CCN(CCc2ccccc2)CC1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
The InChIKey is WIWGKXQDKHDZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4OS/c1-18(24-26-21-9-5-6-10-22(21)27-24)30-17-23(29)25-20-12-15-28(16-13-20)14-11-19-7-3-2-4-8-19/h2-10,18,20H,11-17H2,1H3,(H,25,29)(H,26,27).
What are the key properties of 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide?
2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide has a molecular weight of 422.60 g/mol, XLogP of 4.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1H-benzimidazol-2-yl)ethylsulfanyl]-N-[1-(2-phenylethyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 112822452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).