2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole

C13H14N2S — CID 28688

💊View drug profile → metizoline
IUPAC2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1sc2ccccc2c1CC1=NCCN1
InChIInChI=1S/C13H14N2S/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyNDNKHWUXXOFHTD-UHFFFAOYSA-N
MW230.34 g/mol
LogP2.75
Rot. Bonds2

About 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole

2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole (PubChem CID 28688) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole
PubChem CID28688
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole
SMILESCc1sc2ccccc2c1CC1=NCCN1
InChIInChI=1S/C13H14N2S/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9/h2-5H,6-8H2,1H3,(H,14,15)
InChIKeyNDNKHWUXXOFHTD-UHFFFAOYSA-N
XLogP2.75
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-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

Related Compounds

Metizoline Hydrochloride
CID 68629
Benazoline oxalate
CID 11957476
2-[2-(2-Thiophen-3-yl-phenyl)-ethyl]-4,5-dihydro-1H-imidazole
CID 25034503
2-[1-(2-thiophen-3-ylphenyl)propan-2-yl]-4,5-dihydro-1H-imidazole
CID 122179423
2-Imidazoline, 2-(4-dibenzothienylmethyl)-, monohydrochloride
CID 29789
2-(5-phenylthiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 16082799
2-(1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45262620
2-(2,3-dihydro-1-benzothiophen-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
CID 45265499
2-Methyl-4-(2-methyl-1-benzothiophen-3-yl)-1,4-dihydropyrimidine;hydrochloride
CID 127053124
2-[5-fluoro-2-(4-methylphenyl)-1-benzothiophen-3-yl]-4,5-dihydro-1H-imidazole
CID 10286401
2-(5-Fluoro-2-methyl-1-benzothiophen-3-yl)-5,5-dimethyl-1,4-dihydroimidazole
CID 17780337
2-(Benzo[b]thiophen-2-yl)-4,5-dihydro-1H-imidazole
CID 17780387

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole (CID 28688) is 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole is Cc1sc2ccccc2c1CC1=NCCN1.
What is the InChIKey of 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole?
The InChIKey is NDNKHWUXXOFHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-11(8-13-14-6-7-15-13)10-4-2-3-5-12(10)16-9/h2-5H,6-8H2,1H3,(H,14,15).
What are the key properties of 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole?
2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole has a molecular weight of 230.34 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1-benzothiophen-3-yl)methyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 28688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).