N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

C23H33N5O2S — CID 86944846

IUPACN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H33N5O2S/c1-31-17-21-25-19-8-4-5-9-20(19)28(21)16-22(29)24-10-11-26-12-14-27(15-13-26)23(30)18-6-2-3-7-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3,(H,24,29)
InChIKeyOYLLVSDGARSGBS-UHFFFAOYSA-N
MW443.62 g/mol
LogP2.35
Rot. Bonds8

About N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide

N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (PubChem CID 86944846) has the molecular formula C23H33N5O2S and a molecular weight of 443.62 g/mol. Its IUPAC name is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
PubChem CID86944846
Molecular FormulaC23H33N5O2S
Molecular Weight443.62 g/mol
Exact Mass443.24
IUPAC NameN-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
SMILESCSCc1nc2ccccc2n1CC(=O)NCCN1CCN(C(=O)C2CCCC2)CC1
InChIInChI=1S/C23H33N5O2S/c1-31-17-21-25-19-8-4-5-9-20(19)28(21)16-22(29)24-10-11-26-12-14-27(15-13-26)23(30)18-6-2-3-7-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3,(H,24,29)
InChIKeyOYLLVSDGARSGBS-UHFFFAOYSA-N
XLogP2.35
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.62
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide with MolForge

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 17474003
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 51254966
3-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]propanoic acid
CID 119140155
N-(3-aminobutyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 119495678
N-(3-ethoxypropyl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide
CID 51253387
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 55532655
(3R)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 99633817
N-(2-aminoethyl)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxamide
CID 119479856
6-[[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]amino]hexanoic acid
CID 119219760
1-[4-(2-methylpropyl)piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 134061307
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 86944864
1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide
CID 32978761

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The IUPAC name of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide (CID 86944846) is N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide.
What is the SMILES notation for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The canonical SMILES for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is CSCc1nc2ccccc2n1CC(=O)NCCN1CCN(C(=O)C2CCCC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
The InChIKey is OYLLVSDGARSGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2S/c1-31-17-21-25-19-8-4-5-9-20(19)28(21)16-22(29)24-10-11-26-12-14-27(15-13-26)23(30)18-6-2-3-7-18/h4-5,8-9,18H,2-3,6-7,10-17H2,1H3,(H,24,29).
What are the key properties of N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide?
N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide has a molecular weight of 443.62 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetamide is sourced from PubChem (CID 86944846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).