1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole

C13H14N2S — CID 10489655

IUPAC1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole
SMILESC(\Cn1ccnc1)=C1\CCCc2sccc21
InChIInChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+
InChIKeyRUTWVMBTFHJSGO-NYYWCZLTSA-N
MW230.34 g/mol
LogP3.36
Rot. Bonds2

About 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole

1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole (PubChem CID 10489655) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole.

Molecular Properties

Compound Name1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole
PubChem CID10489655
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole
SMILESC(\Cn1ccnc1)=C1\CCCc2sccc21
InChIInChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+
InChIKeyRUTWVMBTFHJSGO-NYYWCZLTSA-N
XLogP3.36
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(4-Thiophen-3-ylphenyl)propyl]imidazole
CID 25099144
1-[1-(4-Thiophen-3-ylphenyl)ethyl]imidazole
CID 25099145
1-[2-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)ethyl]-1H-imidazole
CID 10847200
1-{2-[(4Z)-4,5,6,7-tetrahydro-1-benzothiophen-4-ylidene]ethyl}-1H-imidazole
CID 10513661
1-[2-(1-benzothiophen-4-yl)ethyl]-1H-imidazole
CID 10537337
1-((4-phenylthiophen-2-yl)methyl)-1H-imidazole
CID 44455927
rac-2-(3-(1-(1H-imidazol-1-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884239
1,3-dimethyl-2-[(E)-2-(4-phenylthiophen-2-yl)ethenyl]imidazol-1-ium iodide
CID 46906800
1-(5-Phenyl-thiophen-2-ylmethyl)-1H-imidazole
CID 53319147
1-(2-Benzylsulfanylethyl)imidazole
CID 58580501
6,7-Dihydrothieno[3,2-C]pyridin-5(4h)-Yl(1h-Imidazol-1-Yl)methanone
CID 40126930
1,3-dimethyl-2-[(E)-2-(5-phenylthiophen-2-yl)ethenyl]imidazol-1-ium iodide
CID 46906857

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole?
The IUPAC name of 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole (CID 10489655) is 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole.
What is the SMILES notation for 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole?
The canonical SMILES for 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole is C(\Cn1ccnc1)=C1\CCCc2sccc21.
What is the InChIKey of 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole?
The InChIKey is RUTWVMBTFHJSGO-NYYWCZLTSA-N. The full InChI is InChI=1S/C13H14N2S/c1-2-11(4-7-15-8-6-14-10-15)12-5-9-16-13(12)3-1/h4-6,8-10H,1-3,7H2/b11-4+.
What are the key properties of 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole?
1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole has a molecular weight of 230.34 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole is sourced from PubChem (CID 10489655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).