1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

C19H21N3OS — CID 91947147

IUPAC1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCn1c(C2CCCN(C(=O)Cc3cccs3)C2)nc2ccccc21
InChIInChI=1S/C19H21N3OS/c1-21-17-9-3-2-8-16(17)20-19(21)14-6-4-10-22(13-14)18(23)12-15-7-5-11-24-15/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3
InChIKeyHFTZUJCXGHWIHU-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.58
Rot. Bonds3

About 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone

1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 91947147) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID91947147
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
SMILESCn1c(C2CCCN(C(=O)Cc3cccs3)C2)nc2ccccc21
InChIInChI=1S/C19H21N3OS/c1-21-17-9-3-2-8-16(17)20-19(21)14-6-4-10-22(13-14)18(23)12-15-7-5-11-24-15/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3
InChIKeyHFTZUJCXGHWIHU-UHFFFAOYSA-N
XLogP3.58
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-indol-1-yl-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91947010
N-[2-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 91947054
1-[(3S)-3-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 51725949
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-(2-methylindol-1-yl)ethanone
CID 91947110
2-(3,5-dimethylphenoxy)-1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]ethanone
CID 91946926
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 91947084
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
3-[2-[(3S)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-oxoethyl]-1,3-diazinane-2,4-dione
CID 97275588
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
2-methyl-N-[3-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-3-oxopropyl]pyrazole-3-carboxamide
CID 91947125
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone (CID 91947147) is 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is Cn1c(C2CCCN(C(=O)Cc3cccs3)C2)nc2ccccc21.
What is the InChIKey of 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is HFTZUJCXGHWIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-21-17-9-3-2-8-16(17)20-19(21)14-6-4-10-22(13-14)18(23)12-15-7-5-11-24-15/h2-3,5,7-9,11,14H,4,6,10,12-13H2,1H3.
What are the key properties of 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone?
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 339.46 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 91947147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).