2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole

C14H15ClN2S — CID 10149377

IUPAC2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole
SMILESCc1sc2ccc(Cl)cc2c1C1=NCC(C)(C)N1
InChIInChI=1S/C14H15ClN2S/c1-8-12(13-16-7-14(2,3)17-13)10-6-9(15)4-5-11(10)18-8/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyGGZPTEWDECTVPK-UHFFFAOYSA-N
MW278.81 g/mol
LogP3.99
Rot. Bonds1

About 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole

2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole (PubChem CID 10149377) has the molecular formula C14H15ClN2S and a molecular weight of 278.81 g/mol. Its IUPAC name is 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole.

Molecular Properties

Compound Name2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole
PubChem CID10149377
Molecular FormulaC14H15ClN2S
Molecular Weight278.81 g/mol
Exact Mass278.06
IUPAC Name2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole
SMILESCc1sc2ccc(Cl)cc2c1C1=NCC(C)(C)N1
InChIInChI=1S/C14H15ClN2S/c1-8-12(13-16-7-14(2,3)17-13)10-6-9(15)4-5-11(10)18-8/h4-6H,7H2,1-3H3,(H,16,17)
InChIKeyGGZPTEWDECTVPK-UHFFFAOYSA-N
XLogP3.99
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.81
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole?
The IUPAC name of 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole (CID 10149377) is 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole.
What is the SMILES notation for 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole?
The canonical SMILES for 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole is Cc1sc2ccc(Cl)cc2c1C1=NCC(C)(C)N1.
What is the InChIKey of 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole?
The InChIKey is GGZPTEWDECTVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2S/c1-8-12(13-16-7-14(2,3)17-13)10-6-9(15)4-5-11(10)18-8/h4-6H,7H2,1-3H3,(H,16,17).
What are the key properties of 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole?
2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole has a molecular weight of 278.81 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole is sourced from PubChem (CID 10149377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).