1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone

C19H21N3OS — CID 110104156

IUPAC1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cn(C)c(C2CCCN(C(=O)c3cc4ccccc4s3)C2)n1
InChIInChI=1S/C19H21N3OS/c1-13-11-21(2)18(20-13)15-7-5-9-22(12-15)19(23)17-10-14-6-3-4-8-16(14)24-17/h3-4,6,8,10-11,15H,5,7,9,12H2,1-2H3
InChIKeyKSRKGWOJLLGGJK-UHFFFAOYSA-N
MW339.46 g/mol
LogP3.96
Rot. Bonds2

About 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone

1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 110104156) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
PubChem CID110104156
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1cn(C)c(C2CCCN(C(=O)c3cc4ccccc4s3)C2)n1
InChIInChI=1S/C19H21N3OS/c1-13-11-21(2)18(20-13)15-7-5-9-22(12-15)19(23)17-10-14-6-3-4-8-16(14)24-17/h3-4,6,8,10-11,15H,5,7,9,12H2,1-2H3
InChIKeyKSRKGWOJLLGGJK-UHFFFAOYSA-N
XLogP3.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-2-yl-[3-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 119103885
1-benzothiophen-2-yl-[3-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-1-yl]methanone
CID 118471376
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 124971094
1-benzothiophen-2-yl-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 124957234
methyl (3S)-1-(1-benzothiophene-2-carbonyl)piperidine-3-carboxylate
CID 78919503
1-benzothiophen-2-yl-[(3R)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124990304
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 110104217
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124944117
1-benzothiophen-2-yl-(3-pyrimidin-2-yloxypiperidin-1-yl)methanone
CID 122160949
[3-(2-aminoethyl)piperidin-1-yl]-(1-benzothiophen-2-yl)methanone;hydrochloride
CID 120727554
[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(3-ethyl-1,2-oxazol-5-yl)methanone
CID 110103951

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone (CID 110104156) is 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone is Cc1cn(C)c(C2CCCN(C(=O)c3cc4ccccc4s3)C2)n1.
What is the InChIKey of 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is KSRKGWOJLLGGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-11-21(2)18(20-13)15-7-5-9-22(12-15)19(23)17-10-14-6-3-4-8-16(14)24-17/h3-4,6,8,10-11,15H,5,7,9,12H2,1-2H3.
What are the key properties of 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone?
1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 339.46 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 110104156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).