5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole

C13H14N2S — CID 10220232

IUPAC5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole
SMILESCc1sc(C)c2c1CCC=C2c1cnc[nH]1
InChIInChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyRLKWQKZPCMICPS-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.47
Rot. Bonds1

About 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole

5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole (PubChem CID 10220232) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole
PubChem CID10220232
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole
SMILESCc1sc(C)c2c1CCC=C2c1cnc[nH]1
InChIInChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15)
InChIKeyRLKWQKZPCMICPS-UHFFFAOYSA-N
XLogP3.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole?
The IUPAC name of 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole (CID 10220232) is 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole.
What is the SMILES notation for 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole?
The canonical SMILES for 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole is Cc1sc(C)c2c1CCC=C2c1cnc[nH]1.
What is the InChIKey of 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole?
The InChIKey is RLKWQKZPCMICPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-8-10-4-3-5-11(12-6-14-7-15-12)13(10)9(2)16-8/h5-7H,3-4H2,1-2H3,(H,14,15).
What are the key properties of 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole?
5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole has a molecular weight of 230.34 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethyl-6,7-dihydro-2-benzothiophen-4-yl)-1H-imidazole is sourced from PubChem (CID 10220232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).