2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine

C15H12N4S — CID 804234

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESc1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1
InChIInChI=1S/C15H12N4S/c1-2-6-13-12(5-1)17-15(18-13)20-10-11-9-19-8-4-3-7-14(19)16-11/h1-9H,10H2,(H,17,18)
InChIKeyQPCCHICYWVDJGY-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.50
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine

2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine (PubChem CID 804234) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine
PubChem CID804234
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine
SMILESc1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1
InChIInChI=1S/C15H12N4S/c1-2-6-13-12(5-1)17-15(18-13)20-10-11-9-19-8-4-3-7-14(19)16-11/h1-9H,10H2,(H,17,18)
InChIKeyQPCCHICYWVDJGY-UHFFFAOYSA-N
XLogP3.50
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine (CID 804234) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine is c1ccc2[nH]c(SCc3cn4ccccc4n3)nc2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is QPCCHICYWVDJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-2-6-13-12(5-1)17-15(18-13)20-10-11-9-19-8-4-3-7-14(19)16-11/h1-9H,10H2,(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine?
2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 280.36 g/mol, XLogP of 3.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 804234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).