1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

C14H17N3S — CID 105149675

IUPAC1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1nccn1C)C1Cc2ccccc2S1
InChIInChI=1S/C14H17N3S/c1-15-13(14-16-7-8-17(14)2)12-9-10-5-3-4-6-11(10)18-12/h3-8,12-13,15H,9H2,1-2H3
InChIKeyFRBPPOLLPOJHHM-UHFFFAOYSA-N
MW259.38 g/mol
LogP2.40
Rot. Bonds3

About 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (PubChem CID 105149675) has the molecular formula C14H17N3S and a molecular weight of 259.38 g/mol. Its IUPAC name is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
PubChem CID105149675
Molecular FormulaC14H17N3S
Molecular Weight259.38 g/mol
Exact Mass259.11
IUPAC Name1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
SMILESCNC(c1nccn1C)C1Cc2ccccc2S1
InChIInChI=1S/C14H17N3S/c1-15-13(14-16-7-8-17(14)2)12-9-10-5-3-4-6-11(10)18-12/h3-8,12-13,15H,9H2,1-2H3
InChIKeyFRBPPOLLPOJHHM-UHFFFAOYSA-N
XLogP2.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.38
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine 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

1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 105148959
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 105167273
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3,5-dimethylphenyl)-N-methylmethanamine
CID 105097285
1-(1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 115860005
[2,3-dihydro-1-benzothiophen-2-yl-(1,4-dimethylpyrazol-5-yl)methyl]hydrazine
CID 112742896
1-(2,3-dihydro-1-benzothiophen-2-yl)-1-(3-ethoxyphenyl)-N-methylmethanamine
CID 105173320
[2,3-dihydro-1-benzothiophen-2-yl-(3-methoxypyrazin-2-yl)methyl]hydrazine
CID 105332622
[2,3-dihydro-1-benzothiophen-2-yl(phenyl)methyl]hydrazine
CID 105282926
N-[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]ethanamine
CID 105098407
[2,3-dihydro-1-benzothiophen-2-yl(pyridin-3-yl)methyl]hydrazine
CID 105287045
[2,3-dihydro-1-benzothiophen-2-yl-(1-ethyl-4-methoxypyrazol-5-yl)methyl]hydrazine
CID 105339391
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methylpent-3-yn-1-amine
CID 105112708

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine (CID 105149675) is 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is CNC(c1nccn1C)C1Cc2ccccc2S1.
What is the InChIKey of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
The InChIKey is FRBPPOLLPOJHHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3S/c1-15-13(14-16-7-8-17(14)2)12-9-10-5-3-4-6-11(10)18-12/h3-8,12-13,15H,9H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine?
1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine has a molecular weight of 259.38 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1-benzothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 105149675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).