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

C13H14N2S — CID 10513661

IUPAC1-[(2Z)-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-WCIBSUBMSA-N
MW230.34 g/mol
LogP3.36
Rot. Bonds2

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

1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole (PubChem CID 10513661) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole.

Molecular Properties

Compound Name1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole
PubChem CID10513661
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name1-[(2Z)-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-WCIBSUBMSA-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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Frequently Asked Questions

What is the IUPAC name of 1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole?
The IUPAC name of 1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole (CID 10513661) is 1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole.
What is the SMILES notation for 1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole?
The canonical SMILES for 1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole is C(\Cn1ccnc1)=C1/CCCc2sccc21.
What is the InChIKey of 1-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole?
The InChIKey is RUTWVMBTFHJSGO-WCIBSUBMSA-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-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole?
1-[(2Z)-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-[(2Z)-2-(6,7-dihydro-5H-1-benzothiophen-4-ylidene)ethyl]imidazole is sourced from PubChem (CID 10513661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).