2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline

C17H13N3S — CID 115917904

IUPAC2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline
SMILESc1csc(-c2nccn2Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H13N3S/c1-2-5-15-13(4-1)7-8-14(19-15)12-20-10-9-18-17(20)16-6-3-11-21-16/h1-11H,12H2
InChIKeyPYSWUGJUHDJPMW-UHFFFAOYSA-N
MW291.38 g/mol
LogP4.21
Rot. Bonds3

About 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline

2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline (PubChem CID 115917904) has the molecular formula C17H13N3S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline.

Molecular Properties

Compound Name2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline
PubChem CID115917904
Molecular FormulaC17H13N3S
Molecular Weight291.38 g/mol
Exact Mass291.08
IUPAC Name2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline
SMILESc1csc(-c2nccn2Cc2ccc3ccccc3n2)c1
InChIInChI=1S/C17H13N3S/c1-2-5-15-13(4-1)7-8-14(19-15)12-20-10-9-18-17(20)16-6-3-11-21-16/h1-11H,12H2
InChIKeyPYSWUGJUHDJPMW-UHFFFAOYSA-N
XLogP4.21
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline?
The IUPAC name of 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline (CID 115917904) is 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline.
What is the SMILES notation for 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline?
The canonical SMILES for 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline is c1csc(-c2nccn2Cc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline?
The InChIKey is PYSWUGJUHDJPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3S/c1-2-5-15-13(4-1)7-8-14(19-15)12-20-10-9-18-17(20)16-6-3-11-21-16/h1-11H,12H2.
What are the key properties of 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline?
2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline has a molecular weight of 291.38 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-thiophen-2-ylimidazol-1-yl)methyl]quinoline is sourced from PubChem (CID 115917904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).