2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine

C16H14N4S — CID 741721

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12
InChIInChI=1S/C16H14N4S/c1-11-5-4-8-15-17-12(9-20(11)15)10-21-16-18-13-6-2-3-7-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)
InChIKeyRWRWRNYXEIXRAR-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.81
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine

2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine (PubChem CID 741721) has the molecular formula C16H14N4S and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
PubChem CID741721
Molecular FormulaC16H14N4S
Molecular Weight294.38 g/mol
Exact Mass294.09
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12
InChIInChI=1S/C16H14N4S/c1-11-5-4-8-15-17-12(9-20(11)15)10-21-16-18-13-6-2-3-7-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)
InChIKeyRWRWRNYXEIXRAR-UHFFFAOYSA-N
XLogP3.81
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-methylphenyl)methylsulfanyl]-1H-benzimidazole
CID 673905
2-[(5-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]benzoate
CID 7041795
4-(1H-benzimidazol-2-ylsulfanylmethyl)-2-(2-methylphenyl)-1,3-thiazole
CID 17383612
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315
2-[(2,5-dimethylphenyl)methylsulfanyl]-1H-benzimidazole
CID 899259
2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
N-(1H-benzimidazol-2-yl)-5-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 9112400
2-[(1-methylimidazol-2-yl)methylsulfanyl]-1H-benzimidazole
CID 47259171
[4-(1H-benzimidazol-2-ylsulfanylmethyl)phenyl]methanol
CID 112630397
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylbutan-2-amine
CID 64621295

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine (CID 741721) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine is Cc1cccc2nc(CSc3nc4ccccc4[nH]3)cn12.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine?
The InChIKey is RWRWRNYXEIXRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4S/c1-11-5-4-8-15-17-12(9-20(11)15)10-21-16-18-13-6-2-3-7-14(13)19-16/h2-9H,10H2,1H3,(H,18,19).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine?
2-(1H-benzimidazol-2-ylsulfanylmethyl)-5-methylimidazo[1,2-a]pyridine has a molecular weight of 294.38 g/mol, XLogP of 3.81, 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)-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 741721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).