N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine

C16H19N3S — CID 114910432

IUPACN-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2cc3ccccc3s2)[nH]1
InChIInChI=1S/C16H19N3S/c1-3-11(2)17-10-16-18-9-13(19-16)15-8-12-6-4-5-7-14(12)20-15/h4-9,11,17H,3,10H2,1-2H3,(H,18,19)
InChIKeyYSAIIECFMNPKSE-UHFFFAOYSA-N
MW285.42 g/mol
LogP4.18
Rot. Bonds5

About N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine

N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine (PubChem CID 114910432) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
PubChem CID114910432
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(-c2cc3ccccc3s2)[nH]1
InChIInChI=1S/C16H19N3S/c1-3-11(2)17-10-16-18-9-13(19-16)15-8-12-6-4-5-7-14(12)20-15/h4-9,11,17H,3,10H2,1-2H3,(H,18,19)
InChIKeyYSAIIECFMNPKSE-UHFFFAOYSA-N
XLogP4.18
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The IUPAC name of N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine (CID 114910432) is N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine.
What is the SMILES notation for N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The canonical SMILES for N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine is CCC(C)NCc1ncc(-c2cc3ccccc3s2)[nH]1.
What is the InChIKey of N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
The InChIKey is YSAIIECFMNPKSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-3-11(2)17-10-16-18-9-13(19-16)15-8-12-6-4-5-7-14(12)20-15/h4-9,11,17H,3,10H2,1-2H3,(H,18,19).
What are the key properties of N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine?
N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1-benzothiophen-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine is sourced from PubChem (CID 114910432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).