2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

C20H21N3O2S — CID 118782789

IUPAC2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cs1
InChIInChI=1S/C20H21N3O2S/c1-13(24)18-10-14(12-26-18)11-19(25)23-8-6-15(7-9-23)20-21-16-4-2-3-5-17(16)22-20/h2-5,10,12,15H,6-9,11H2,1H3,(H,21,22)
InChIKeyLQNNEPHNXQLXPX-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.78
Rot. Bonds4

About 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone

2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone (PubChem CID 118782789) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
PubChem CID118782789
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone
SMILESCC(=O)c1cc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cs1
InChIInChI=1S/C20H21N3O2S/c1-13(24)18-10-14(12-26-18)11-19(25)23-8-6-15(7-9-23)20-21-16-4-2-3-5-17(16)22-20/h2-5,10,12,15H,6-9,11H2,1H3,(H,21,22)
InChIKeyLQNNEPHNXQLXPX-UHFFFAOYSA-N
XLogP3.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(4-chlorophenyl)ethanone
CID 29128735
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
CID 55688096
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-[2-(4-bromothiophen-2-yl)-1,3-thiazol-4-yl]ethanone
CID 60523337
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 35348246
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]octadecan-1-one
CID 108739547
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-3-naphthalen-2-ylpropan-1-one
CID 60523367
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-piperazin-1-ylmethanone
CID 142409937
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenylsulfanylethanone
CID 35348941
1-[4-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidine-1-carbonyl]thiophen-2-yl]ethanone
CID 70726537
[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-(5-bromothiophen-3-yl)methanone
CID 37437294
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(3-bromo-2-fluorophenyl)ethanone
CID 146022591
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-phenoxyethanone
CID 33117061

Frequently Asked Questions

What is the IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone (CID 118782789) is 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone is CC(=O)c1cc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cs1.
What is the InChIKey of 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
The InChIKey is LQNNEPHNXQLXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13(24)18-10-14(12-26-18)11-19(25)23-8-6-15(7-9-23)20-21-16-4-2-3-5-17(16)22-20/h2-5,10,12,15H,6-9,11H2,1H3,(H,21,22).
What are the key properties of 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone?
2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone has a molecular weight of 367.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-acetylthiophen-3-yl)-1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 118782789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).