2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine

C15H16N4OS — CID 83267069

IUPAC2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine
SMILESCCOc1ccc2nc(Sc3cc(N)c(C)cn3)[nH]c2c1
InChIInChI=1S/C15H16N4OS/c1-3-20-10-4-5-12-13(6-10)19-15(18-12)21-14-7-11(16)9(2)8-17-14/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyLXFIOYMQVNNEIW-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.40
Rot. Bonds4

About 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine

2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine (PubChem CID 83267069) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine
PubChem CID83267069
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine
SMILESCCOc1ccc2nc(Sc3cc(N)c(C)cn3)[nH]c2c1
InChIInChI=1S/C15H16N4OS/c1-3-20-10-4-5-12-13(6-10)19-15(18-12)21-14-7-11(16)9(2)8-17-14/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,19)
InChIKeyLXFIOYMQVNNEIW-UHFFFAOYSA-N
XLogP3.40
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylaniline;hydrate
CID 67570619
2-(6-chloropyridazin-3-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 43260467
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine
CID 102988673
6-ethoxy-2-hydroxysulfanyl-1H-benzimidazole
CID 119085221
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hydrochloride
CID 5344707
[3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyridazin-4-yl]methanamine
CID 80515683
6-ethoxy-2-ethylsulfanyl-1H-benzimidazole;hypochlorous acid
CID 159344555
2-amino-3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 64821084
2-(2-chloro-5-fluoropyrimidin-4-yl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 79080951
6-ethoxy-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1H-benzimidazole
CID 5169709
6-ethoxy-2-(pyrimidin-2-ylmethylsulfanyl)-1H-benzimidazole
CID 99794984
2-(3-bromo-2,2-dimethylpropyl)sulfanyl-6-ethoxy-1H-benzimidazole
CID 65000521

Frequently Asked Questions

What is the IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine?
The IUPAC name of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine (CID 83267069) is 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine.
What is the SMILES notation for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine?
The canonical SMILES for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine is CCOc1ccc2nc(Sc3cc(N)c(C)cn3)[nH]c2c1.
What is the InChIKey of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine?
The InChIKey is LXFIOYMQVNNEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-3-20-10-4-5-12-13(6-10)19-15(18-12)21-14-7-11(16)9(2)8-17-14/h4-8H,3H2,1-2H3,(H2,16,17)(H,18,19).
What are the key properties of 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine?
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine has a molecular weight of 300.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-5-methylpyridin-4-amine is sourced from PubChem (CID 83267069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).