N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine

C17H21N3S — CID 66401918

IUPACN-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1Cc1csc2ccccc12
InChIInChI=1S/C17H21N3S/c1-13(2)9-18-10-17-19-7-8-20(17)11-14-12-21-16-6-4-3-5-15(14)16/h3-8,12-13,18H,9-11H2,1-2H3
InChIKeyCHNZTZJQGWMIHY-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.89
Rot. Bonds6

About N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine

N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66401918) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID66401918
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1nccn1Cc1csc2ccccc12
InChIInChI=1S/C17H21N3S/c1-13(2)9-18-10-17-19-7-8-20(17)11-14-12-21-16-6-4-3-5-15(14)16/h3-8,12-13,18H,9-11H2,1-2H3
InChIKeyCHNZTZJQGWMIHY-UHFFFAOYSA-N
XLogP3.89
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-[(2,3-dichlorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 107307271
2-methyl-N-[[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402484
N-[[1-[(5-ethylthiophen-2-yl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66402303
N-[[1-[(2-bromo-4-fluorophenyl)methyl]imidazol-2-yl]methyl]-2-methylpropan-1-amine
CID 66403458
2-methyl-N-[[1-[(1-propan-2-ylpyrazol-3-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66401706
N-(1-benzothiophen-3-ylmethyl)-2-(1-methylimidazol-2-yl)ethanamine
CID 55108547
1-(1-benzothiophen-3-ylmethylamino)-4-methylpentan-2-ol
CID 103631658
(2S)-1-(1-benzothiophen-3-ylmethylamino)propan-2-ol
CID 94331216
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-5-yl)methyl]imidazol-2-yl]methyl]propan-1-amine
CID 66402097
1-[2-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-ol
CID 66402680
4-fluoro-3-[[2-[(2-methylpropylamino)methyl]imidazol-1-yl]methyl]benzonitrile
CID 66402493
N-(1-benzothiophen-3-ylmethyl)-2-methylbutan-1-amine
CID 62694134

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine (CID 66401918) is N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1nccn1Cc1csc2ccccc12.
What is the InChIKey of N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is CHNZTZJQGWMIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-13(2)9-18-10-17-19-7-8-20(17)11-14-12-21-16-6-4-3-5-15(14)16/h3-8,12-13,18H,9-11H2,1-2H3.
What are the key properties of N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 299.44 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-benzothiophen-3-ylmethyl)imidazol-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66401918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).