[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone

C21H13N3O2S — CID 102213214

IUPAC[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1ncc(C(=O)c2csc3ccccc23)[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H13N3O2S/c25-19(15-11-27-18-8-4-2-6-13(15)18)17-10-23-21(24-17)20(26)14-9-22-16-7-3-1-5-12(14)16/h1-11,22H,(H,23,24)
InChIKeyDXQPIUBJLJCFOS-UHFFFAOYSA-N
MW371.42 g/mol
LogP4.57
Rot. Bonds4

About [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone

[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone (PubChem CID 102213214) has the molecular formula C21H13N3O2S and a molecular weight of 371.42 g/mol. Its IUPAC name is [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone.

Molecular Properties

Compound Name[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
PubChem CID102213214
Molecular FormulaC21H13N3O2S
Molecular Weight371.42 g/mol
Exact Mass371.07
IUPAC Name[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
SMILESO=C(c1ncc(C(=O)c2csc3ccccc23)[nH]1)c1c[nH]c2ccccc12
InChIInChI=1S/C21H13N3O2S/c25-19(15-11-27-18-8-4-2-6-13(15)18)17-10-23-21(24-17)20(26)14-9-22-16-7-3-1-5-12(14)16/h1-11,22H,(H,23,24)
InChIKeyDXQPIUBJLJCFOS-UHFFFAOYSA-N
XLogP4.57
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzothiophen-3-yl(1H-pyrrolo[3,2-c]pyridin-3-yl)methanone
CID 102626680
1-benzothiophen-3-yl-(5-fluoro-1H-indol-3-yl)methanone
CID 63841276
1H-indol-3-yl(pyridin-2-yl)methanone
CID 3820978
1H-indol-3-yl(1,3-thiazol-2-yl)methanone
CID 69252541
1H-indol-3-yl-(4-methyl-1,3-thiazol-2-yl)methanone
CID 146238804
(5-amino-2-pyridinyl)-(1H-indol-3-yl)methanone
CID 112742464
1H-indole-3-carbonyl chloride;hydrochloride
CID 87937583
N-[(E)-1H-indol-3-ylmethylideneamino]-1-benzothiophene-3-carboxamide
CID 135647349
1H-indol-3-yl-(6-methoxypyridazin-3-yl)methanone
CID 112742987
1H-indol-3-yl-(3-methylthiophen-2-yl)methanone
CID 43463190
1H-indol-3-yl-(3-methoxythiophen-2-yl)methanone
CID 81127045
5-(1H-indole-3-carbonyl)pyrazine-2-carbonitrile
CID 146879070

Frequently Asked Questions

What is the IUPAC name of [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The IUPAC name of [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone (CID 102213214) is [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone.
What is the SMILES notation for [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The canonical SMILES for [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone is O=C(c1ncc(C(=O)c2csc3ccccc23)[nH]1)c1c[nH]c2ccccc12.
What is the InChIKey of [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
The InChIKey is DXQPIUBJLJCFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N3O2S/c25-19(15-11-27-18-8-4-2-6-13(15)18)17-10-23-21(24-17)20(26)14-9-22-16-7-3-1-5-12(14)16/h1-11,22H,(H,23,24).
What are the key properties of [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone?
[5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone has a molecular weight of 371.42 g/mol, XLogP of 4.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1-benzothiophene-3-carbonyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone is sourced from PubChem (CID 102213214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).