(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

C20H23N3OS — CID 91947084

IUPAC(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1scc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)c1C
InChIInChI=1S/C20H23N3OS/c1-13-14(2)25-12-16(13)20(24)23-10-6-7-15(11-23)19-21-17-8-4-5-9-18(17)22(19)3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3
InChIKeyXDUOABKRVXPHKG-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.27
Rot. Bonds2

About (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone

(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 91947084) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID91947084
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1scc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)c1C
InChIInChI=1S/C20H23N3OS/c1-13-14(2)25-12-16(13)20(24)23-10-6-7-15(11-23)19-21-17-8-4-5-9-18(17)22(19)3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3
InChIKeyXDUOABKRVXPHKG-UHFFFAOYSA-N
XLogP4.27
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 91947183
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(2-methylquinolin-3-yl)methanone
CID 91947009
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylphenyl)methanone
CID 91947140
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 91947190
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 91946961
(6-chloro-2-methylquinolin-3-yl)-[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 92628216
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(4-methylquinolin-2-yl)methanone
CID 46974543
1-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 91947147
[2-(methylamino)pyrimidin-5-yl]-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975918
[(3R)-3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 92628235
[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 46975714
(2-chloro-5-pyrazol-1-ylphenyl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone
CID 46975354

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone (CID 91947084) is (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is Cc1scc(C(=O)N2CCCC(c3nc4ccccc4n3C)C2)c1C.
What is the InChIKey of (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is XDUOABKRVXPHKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-13-14(2)25-12-16(13)20(24)23-10-6-7-15(11-23)19-21-17-8-4-5-9-18(17)22(19)3/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3.
What are the key properties of (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone?
(4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 353.49 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-3-yl)-[3-(1-methylbenzimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 91947084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).