5-(1-benzothiophen-4-yl)-1H-imidazole

C11H8N2S — CID 10176567

IUPAC5-(1-benzothiophen-4-yl)-1H-imidazole
SMILESc1cc(-c2cnc[nH]2)c2ccsc2c1
InChIInChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)
InChIKeyQRRRICPYXPJYEH-UHFFFAOYSA-N
MW200.27 g/mol
LogP3.29
Rot. Bonds1

About 5-(1-benzothiophen-4-yl)-1H-imidazole

5-(1-benzothiophen-4-yl)-1H-imidazole (PubChem CID 10176567) has the molecular formula C11H8N2S and a molecular weight of 200.27 g/mol. Its IUPAC name is 5-(1-benzothiophen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(1-benzothiophen-4-yl)-1H-imidazole
PubChem CID10176567
Molecular FormulaC11H8N2S
Molecular Weight200.27 g/mol
Exact Mass200.04
IUPAC Name5-(1-benzothiophen-4-yl)-1H-imidazole
SMILESc1cc(-c2cnc[nH]2)c2ccsc2c1
InChIInChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13)
InChIKeyQRRRICPYXPJYEH-UHFFFAOYSA-N
XLogP3.29
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.27
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-Imidazol-4-ylmethyl)-4-phenyl-thiazole
CID 14742545
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-4-yl)-1H-imidazole
CID 9815633
4-(4,5,6,7-Tetrahydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837136
5-[(3-methylthiophen-2-yl)methyl]-1H-imidazole;hydrochloride
CID 9837284
4-(1,3-dimethyl-6,7-dihydrobenzo[c]thiophene-4-yl)-1H-imidazole
CID 10220232
5-[1-(3-methylthiophen-2-yl)ethyl]-1H-imidazole
CID 10487999
4-{[4-(thiophen-3-yl)-1H-imidazol-1-yl]methyl}aniline
CID 6539902
(3R)-1,1-Dibutyl-3-(4-phenyl-1H-imidazol-2-yl)-1,2,3,4-tetrahydro[1]benzothieno[2,3-c] pyridine
CID 9803491
1H-Imidazole, 5-(6,7-dihydrobenzo[b]thien-4-yl)-
CID 9815610
4-(4,5-Dihydro-benzo[b]thiophen-7-yl)-1H-imidazole
CID 9837106
2-[3-(1H-imidazol-5-yl)propyl]-1-(3-pyridin-2-yl-3-thiophen-2-ylpropyl)guanidine
CID 14660411

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzothiophen-4-yl)-1H-imidazole?
The IUPAC name of 5-(1-benzothiophen-4-yl)-1H-imidazole (CID 10176567) is 5-(1-benzothiophen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(1-benzothiophen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(1-benzothiophen-4-yl)-1H-imidazole is c1cc(-c2cnc[nH]2)c2ccsc2c1.
What is the InChIKey of 5-(1-benzothiophen-4-yl)-1H-imidazole?
The InChIKey is QRRRICPYXPJYEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2S/c1-2-8(10-6-12-7-13-10)9-4-5-14-11(9)3-1/h1-7H,(H,12,13).
What are the key properties of 5-(1-benzothiophen-4-yl)-1H-imidazole?
5-(1-benzothiophen-4-yl)-1H-imidazole has a molecular weight of 200.27 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzothiophen-4-yl)-1H-imidazole is sourced from PubChem (CID 10176567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).