2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine

C16H15N4S+ — CID 3375352

IUPAC2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3[nH]c4ccccc4[nH+]3)nc12
InChIInChI=1S/C16H14N4S/c1-11-5-4-8-20-9-12(17-15(11)20)10-21-16-18-13-6-2-3-7-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)/p+1
InChIKeyDBXFURHOPQBJNP-UHFFFAOYSA-O
MW295.39 g/mol
LogP3.23
Rot. Bonds3

About 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine

2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine (PubChem CID 3375352) has the molecular formula C16H15N4S+ and a molecular weight of 295.39 g/mol. Its IUPAC name is 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine
PubChem CID3375352
Molecular FormulaC16H15N4S+
Molecular Weight295.39 g/mol
Exact Mass295.10
IUPAC Name2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine
SMILESCc1cccn2cc(CSc3[nH]c4ccccc4[nH+]3)nc12
InChIInChI=1S/C16H14N4S/c1-11-5-4-8-20-9-12(17-15(11)20)10-21-16-18-13-6-2-3-7-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)/p+1
InChIKeyDBXFURHOPQBJNP-UHFFFAOYSA-O
XLogP3.23
TPSA47.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]propan-1-amine
CID 66220095
2-[(6-methyl-1H-benzimidazol-3-ium-2-yl)sulfanylmethyl]imidazo[1,2-a]pyrimidine
CID 4226828
8-methyl-2-[(1-phenyltetrazol-5-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 40663459
2-methyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]aniline
CID 79143687
8-methyl-2-[[1-(2-methylphenyl)imidazol-2-yl]sulfanylmethyl]imidazo[1,2-a]pyridine
CID 134042086
8-methyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 51140067
(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine;dihydrochloride
CID 50988319
5-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-1,3-thiazol-2-amine
CID 43250010
2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
CID 4805210
N,N-dimethyl-1-(8-methylimidazo[1,2-a]pyridin-2-yl)methanamine
CID 70660652
5-ethyl-3-[(8-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]-[1,2,4]triazino[5,6-b]indole
CID 7712321
2-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-8-methylimidazo[1,2-a]pyridine
CID 17458002

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine (CID 3375352) is 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine is Cc1cccn2cc(CSc3[nH]c4ccccc4[nH+]3)nc12.
What is the InChIKey of 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine?
The InChIKey is DBXFURHOPQBJNP-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H14N4S/c1-11-5-4-8-20-9-12(17-15(11)20)10-21-16-18-13-6-2-3-7-14(13)19-16/h2-9H,10H2,1H3,(H,18,19)/p+1.
What are the key properties of 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine?
2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine has a molecular weight of 295.39 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-3-ium-2-ylsulfanylmethyl)-8-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 3375352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).