N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine

C15H17N3S — CID 55108547

IUPACN-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CCNCc1csc2ccccc12
InChIInChI=1S/C15H17N3S/c1-18-9-8-17-15(18)6-7-16-10-12-11-19-14-5-3-2-4-13(12)14/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyIGPWATDPVZMHOD-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.97
Rot. Bonds5

About N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine

N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine (PubChem CID 55108547) has the molecular formula C15H17N3S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound NameN-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
PubChem CID55108547
Molecular FormulaC15H17N3S
Molecular Weight271.39 g/mol
Exact Mass271.11
IUPAC NameN-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
SMILESCn1ccnc1CCNCc1csc2ccccc12
InChIInChI=1S/C15H17N3S/c1-18-9-8-17-15(18)6-7-16-10-12-11-19-14-5-3-2-4-13(12)14/h2-5,8-9,11,16H,6-7,10H2,1H3
InChIKeyIGPWATDPVZMHOD-UHFFFAOYSA-N
XLogP2.97
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine 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

N-[(3-chloro-1-benzothiophen-2-yl)methyl]-2-(1-methylimidazol-2-yl)ethanamine
CID 61212225
2-(1-methylimidazol-2-yl)-N-[(4-methylthiophen-3-yl)methyl]ethanamine
CID 114527694
N-(1-benzothiophen-3-ylmethyl)propan-1-amine
CID 46785290
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049957
N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66401918
N-(1-benzothiophen-3-ylmethyl)-2-(2-fluorophenyl)ethanamine
CID 60704446
3-[[2-(1-methylimidazol-2-yl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895253
2-(1-methylimidazol-2-yl)-N-[(5-phenylthiophen-2-yl)methyl]ethanamine
CID 61212219
2-(1-methylimidazol-2-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 61214868
1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744320
2-(1-methylimidazol-2-yl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 114527554
2-(1-methylimidazol-2-yl)-N-[(1-propylpyrrol-2-yl)methyl]ethanamine
CID 66411574

Frequently Asked Questions

What is the IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine (CID 55108547) is N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine is Cn1ccnc1CCNCc1csc2ccccc12.
What is the InChIKey of N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is IGPWATDPVZMHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3S/c1-18-9-8-17-15(18)6-7-16-10-12-11-19-14-5-3-2-4-13(12)14/h2-5,8-9,11,16H,6-7,10H2,1H3.
What are the key properties of N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine?
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 271.39 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 55108547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).