N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine

C18H16N6S — CID 71876310

IUPACN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NCc2ccc(-n3cnc4ccccc43)nc2)nn1
InChIInChI=1S/C18H16N6S/c1-25-18-9-7-16(22-23-18)19-10-13-6-8-17(20-11-13)24-12-21-14-4-2-3-5-15(14)24/h2-9,11-12H,10H2,1H3,(H,19,22)
InChIKeyNXILLLCXDFJELQ-UHFFFAOYSA-N
MW348.44 g/mol
LogP3.54
Rot. Bonds5

About N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine

N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine (PubChem CID 71876310) has the molecular formula C18H16N6S and a molecular weight of 348.44 g/mol. Its IUPAC name is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine.

Molecular Properties

Compound NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine
PubChem CID71876310
Molecular FormulaC18H16N6S
Molecular Weight348.44 g/mol
Exact Mass348.12
IUPAC NameN-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine
SMILESCSc1ccc(NCc2ccc(-n3cnc4ccccc43)nc2)nn1
InChIInChI=1S/C18H16N6S/c1-25-18-9-7-16(22-23-18)19-10-13-6-8-17(20-11-13)24-12-21-14-4-2-3-5-15(14)24/h2-9,11-12H,10H2,1H3,(H,19,22)
InChIKeyNXILLLCXDFJELQ-UHFFFAOYSA-N
XLogP3.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine?
The IUPAC name of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine (CID 71876310) is N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine.
What is the SMILES notation for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine?
The canonical SMILES for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine is CSc1ccc(NCc2ccc(-n3cnc4ccccc43)nc2)nn1.
What is the InChIKey of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine?
The InChIKey is NXILLLCXDFJELQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6S/c1-25-18-9-7-16(22-23-18)19-10-13-6-8-17(20-11-13)24-12-21-14-4-2-3-5-15(14)24/h2-9,11-12H,10H2,1H3,(H,19,22).
What are the key properties of N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine?
N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine has a molecular weight of 348.44 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(benzimidazol-1-yl)-3-pyridinyl]methyl]-6-methylsulfanylpyridazin-3-amine is sourced from PubChem (CID 71876310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).