4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole

C12H16N2S — CID 142670832

IUPAC4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole
SMILESC1=C(CC2CCc3sccc3C2)NCN1
InChIInChI=1S/C12H16N2S/c1-2-12-10(3-4-15-12)5-9(1)6-11-7-13-8-14-11/h3-4,7,9,13-14H,1-2,5-6,8H2
InChIKeyWRKGZRRGBVTISB-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.23
Rot. Bonds2

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

4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole (PubChem CID 142670832) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole
PubChem CID142670832
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole
SMILESC1=C(CC2CCc3sccc3C2)NCN1
InChIInChI=1S/C12H16N2S/c1-2-12-10(3-4-15-12)5-9(1)6-11-7-13-8-14-11/h3-4,7,9,13-14H,1-2,5-6,8H2
InChIKeyWRKGZRRGBVTISB-UHFFFAOYSA-N
XLogP2.23
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole (CID 142670832) is 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole is C1=C(CC2CCc3sccc3C2)NCN1.
What is the InChIKey of 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole?
The InChIKey is WRKGZRRGBVTISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S/c1-2-12-10(3-4-15-12)5-9(1)6-11-7-13-8-14-11/h3-4,7,9,13-14H,1-2,5-6,8H2.
What are the key properties of 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole?
4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole has a molecular weight of 220.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydro-1-benzothiophen-5-ylmethyl)-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 142670832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).