1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

C16H19N3S — CID 105049957

IUPAC1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1csc2ccccc12
InChIInChI=1S/C16H19N3S/c1-17-14(7-8-16-18-9-10-19(16)2)13-11-20-15-6-4-3-5-12(13)15/h3-6,9-11,14,17H,7-8H2,1-2H3
InChIKeyIGJRWLLPQZHNKZ-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.53
Rot. Bonds5

About 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine

1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (PubChem CID 105049957) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
PubChem CID105049957
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
SMILESCNC(CCc1nccn1C)c1csc2ccccc12
InChIInChI=1S/C16H19N3S/c1-17-14(7-8-16-18-9-10-19(16)2)13-11-20-15-6-4-3-5-12(13)15/h3-6,9-11,14,17H,7-8H2,1-2H3
InChIKeyIGJRWLLPQZHNKZ-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-benzothiophen-3-yl)-2-(1-methylimidazol-2-yl)ethanol
CID 79744320
1-(2-methoxyphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114529894
N-methyl-3-(1-methylimidazol-2-yl)-1-pyrimidin-2-ylpropan-1-amine
CID 114530008
3-(1-benzothiophen-3-yl)-3-(methylamino)propan-1-ol
CID 116952885
1-(1-benzothiophen-3-yl)-N-methylpropane-1,3-diamine
CID 116948479
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 55108547
[1-benzothiophen-3-yl-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308265
1-(3-bromo-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049763
1-(3-bromo-2-fluorophenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 107953783
N-methyl-3-(1-methylimidazol-2-yl)-1-pyridazin-4-ylpropan-1-amine
CID 105187782
N-methyl-5-(1-methylimidazol-2-yl)-1-phenylpentan-1-amine
CID 114532132
1-(5-chloro-2-methylphenyl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105049923

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The IUPAC name of 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine (CID 105049957) is 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is CNC(CCc1nccn1C)c1csc2ccccc12.
What is the InChIKey of 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
The InChIKey is IGJRWLLPQZHNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-17-14(7-8-16-18-9-10-19(16)2)13-11-20-15-6-4-3-5-12(13)15/h3-6,9-11,14,17H,7-8H2,1-2H3.
What are the key properties of 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine?
1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine has a molecular weight of 285.42 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzothiophen-3-yl)-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 105049957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).