1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine

C13H13N3S — CID 82895493

IUPAC1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)c1cccc2ccsc12
InChIInChI=1S/C13H13N3S/c1-16-8-15-7-11(16)12(14)10-4-2-3-9-5-6-17-13(9)10/h2-8,12H,14H2,1H3
InChIKeyJDNUIQMTEPDXPQ-UHFFFAOYSA-N
MW243.34 g/mol
LogP2.68
Rot. Bonds2

About 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine

1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine (PubChem CID 82895493) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine.

Molecular Properties

Compound Name1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine
PubChem CID82895493
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine
SMILESCn1cncc1C(N)c1cccc2ccsc12
InChIInChI=1S/C13H13N3S/c1-16-8-15-7-11(16)12(14)10-4-2-3-9-5-6-17-13(9)10/h2-8,12H,14H2,1H3
InChIKeyJDNUIQMTEPDXPQ-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine?
The IUPAC name of 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine (CID 82895493) is 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine.
What is the SMILES notation for 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine?
The canonical SMILES for 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine is Cn1cncc1C(N)c1cccc2ccsc12.
What is the InChIKey of 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine?
The InChIKey is JDNUIQMTEPDXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-16-8-15-7-11(16)12(14)10-4-2-3-9-5-6-17-13(9)10/h2-8,12H,14H2,1H3.
What are the key properties of 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine?
1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine has a molecular weight of 243.34 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-7-yl-(3-methylimidazol-4-yl)methanamine is sourced from PubChem (CID 82895493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).