1-[2-(1-benzothiophen-4-yl)ethyl]imidazole

C13H12N2S — CID 10537337

IUPAC1-[2-(1-benzothiophen-4-yl)ethyl]imidazole
SMILESc1cc(CCn2ccnc2)c2ccsc2c1
InChIInChI=1S/C13H12N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h1-3,5-6,8-10H,4,7H2
InChIKeyZEWHOUCPWZPPGK-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.34
Rot. Bonds3

About 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole

1-[2-(1-benzothiophen-4-yl)ethyl]imidazole (PubChem CID 10537337) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(1-benzothiophen-4-yl)ethyl]imidazole
PubChem CID10537337
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name1-[2-(1-benzothiophen-4-yl)ethyl]imidazole
SMILESc1cc(CCn2ccnc2)c2ccsc2c1
InChIInChI=1S/C13H12N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h1-3,5-6,8-10H,4,7H2
InChIKeyZEWHOUCPWZPPGK-UHFFFAOYSA-N
XLogP3.34
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole?
The IUPAC name of 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole (CID 10537337) is 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole?
The canonical SMILES for 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole is c1cc(CCn2ccnc2)c2ccsc2c1.
What is the InChIKey of 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole?
The InChIKey is ZEWHOUCPWZPPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h1-3,5-6,8-10H,4,7H2.
What are the key properties of 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole?
1-[2-(1-benzothiophen-4-yl)ethyl]imidazole has a molecular weight of 228.32 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzothiophen-4-yl)ethyl]imidazole is sourced from PubChem (CID 10537337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).