1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide

C17H22N4O2S — CID 32978761

IUPAC1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide
SMILESCSCc1nc2ccccc2n1CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H22N4O2S/c1-24-11-15-19-13-4-2-3-5-14(13)21(15)10-16(22)20-8-6-12(7-9-20)17(18)23/h2-5,12H,6-11H2,1H3,(H2,18,23)
InChIKeyMHATYDMCSJKNAP-UHFFFAOYSA-N
MW346.46 g/mol
LogP1.62
Rot. Bonds5

About 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide

1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide (PubChem CID 32978761) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide
PubChem CID32978761
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide
SMILESCSCc1nc2ccccc2n1CC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C17H22N4O2S/c1-24-11-15-19-13-4-2-3-5-14(13)21(15)10-16(22)20-8-6-12(7-9-20)17(18)23/h2-5,12H,6-11H2,1H3,(H2,18,23)
InChIKeyMHATYDMCSJKNAP-UHFFFAOYSA-N
XLogP1.62
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 17474003
1-(4-benzylpiperidin-1-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 32977619
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-1-piperazin-1-ylethanone;dihydrochloride
CID 119400771
(3R)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxylic acid
CID 99633817
1-[4-(2-methylpropyl)piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 134061307
N-(2-aminoethyl)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-3-carboxamide
CID 119479856
1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 55439171
2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
CID 51254966
3-[(2R)-1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidin-2-yl]propanoic acid
CID 124689393
1-(2,5-dimethylmorpholin-4-yl)-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 53499270
1-[(2S,5R)-2,5-dimethylmorpholin-4-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 94183513
1-[(2S)-2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanone
CID 41169004

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide (CID 32978761) is 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide is CSCc1nc2ccccc2n1CC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide?
The InChIKey is MHATYDMCSJKNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-24-11-15-19-13-4-2-3-5-14(13)21(15)10-16(22)20-8-6-12(7-9-20)17(18)23/h2-5,12H,6-11H2,1H3,(H2,18,23).
What are the key properties of 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide?
1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetyl]piperidine-4-carboxamide is sourced from PubChem (CID 32978761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).