2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone

C16H21N3OS — CID 650759

IUPAC2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESCCSc1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C16H21N3OS/c1-2-21-16-17-13-8-4-5-9-14(13)19(16)12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyCVCVTBPAWRMOHF-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.16
Rot. Bonds4

About 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone

2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone (PubChem CID 650759) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
PubChem CID650759
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone
SMILESCCSc1nc2ccccc2n1CC(=O)N1CCCCC1
InChIInChI=1S/C16H21N3OS/c1-2-21-16-17-13-8-4-5-9-14(13)19(16)12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3
InChIKeyCVCVTBPAWRMOHF-UHFFFAOYSA-N
XLogP3.16
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(methylsulfanyl)-1H-1,3-benzodiazole
CID 415665
5-Thia-2,7-diazatricyclo(6.4.0.0,2,6)dodeca-1(12),6,8,10-tetraen-3-one
CID 234934
3,4-Dihydro-2H-(1,3)thiazino(3,2-a)benzimidazol-3-ol
CID 380631
2-(1H-benzimidazol-2-ylsulfanyl)-N-cyclopentylacetamide
CID 756022
N-(1-heptylbenzimidazol-2-yl)propanamide
CID 3844957
2-Carbamoyl-1-methylbenzimidazole
CID 600256
1,3,7-Trimethyl-8-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]sulfanylpurine-2,6-dione
CID 649223
2-(1H-benzimidazol-2-ylsulfanyl)-1-piperidin-1-ylethanone
CID 757389
(2-sec-Butylsulfanyl-benzoimidazol-1-yl)-acetic acid
CID 2772439
methyl [2-(benzylsulfanyl)-1H-benzimidazol-1-yl]acetate
CID 3849497
[2-(Ethylthio)-1H-benzimidazol-1-yl]acetic acid
CID 675052
(1-Ethyl-1H-benzoimidazol-2-ylsulfanyl)-acetic acid
CID 720898

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone (CID 650759) is 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone is CCSc1nc2ccccc2n1CC(=O)N1CCCCC1.
What is the InChIKey of 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is CVCVTBPAWRMOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-2-21-16-17-13-8-4-5-9-14(13)19(16)12-15(20)18-10-6-3-7-11-18/h4-5,8-9H,2-3,6-7,10-12H2,1H3.
What are the key properties of 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone?
2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 303.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylsulfanylbenzimidazol-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 650759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).