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

C13H15N3S — CID 105149588

IUPAC2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)C1CSc2ccccc21
InChIInChI=1S/C13H15N3S/c1-16-7-6-15-13(16)12(14)10-8-17-11-5-3-2-4-9(10)11/h2-7,10,12H,8,14H2,1H3
InChIKeyZSNYTJSECSINFI-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.31
Rot. Bonds2

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

2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine (PubChem CID 105149588) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine
PubChem CID105149588
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine
SMILESCn1ccnc1C(N)C1CSc2ccccc21
InChIInChI=1S/C13H15N3S/c1-16-7-6-15-13(16)12(14)10-8-17-11-5-3-2-4-9(10)11/h2-7,10,12H,8,14H2,1H3
InChIKeyZSNYTJSECSINFI-UHFFFAOYSA-N
XLogP2.31
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydro-1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanamine
CID 105167162
[1-(2,3-dihydro-1-benzothiophen-3-yl)-3-(1-methylimidazol-2-yl)propyl]hydrazine
CID 105340338
2,3-dihydro-1-benzothiophen-3-yl(furan-3-yl)methanamine
CID 105146701
2,3-dihydro-1-benzothiophen-3-yl-(2,3-dimethylphenyl)methanamine
CID 105140626
2,3-dihydro-1-benzothiophen-3-yl-(3-methylthiophen-2-yl)methanamine
CID 105166501
1-(2,3-dihydro-1-benzothiophen-3-yl)-4-methylpentan-1-amine
CID 105126981
cyclohepten-1-yl(2,3-dihydro-1-benzothiophen-3-yl)methanamine
CID 106657047
(1-methylimidazol-2-yl)-(1-phenylcyclopropyl)methanamine
CID 63975391
[2,3-dihydro-1-benzothiophen-3-yl-(3-ethyltriazol-4-yl)methyl]hydrazine
CID 114213664
(1R)-1-(1-methylimidazol-2-yl)ethanamine
CID 42220137
1-(2,3-dihydro-1-benzothiophen-3-yl)heptan-1-amine
CID 105126135
2-cyclopentyl-1-(2,3-dihydro-1-benzothiophen-3-yl)ethanamine
CID 105138979

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine?
The IUPAC name of 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine (CID 105149588) is 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine is Cn1ccnc1C(N)C1CSc2ccccc21.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine?
The InChIKey is ZSNYTJSECSINFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-16-7-6-15-13(16)12(14)10-8-17-11-5-3-2-4-9(10)11/h2-7,10,12H,8,14H2,1H3.
What are the key properties of 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine?
2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine has a molecular weight of 245.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methanamine is sourced from PubChem (CID 105149588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).