4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine

C15H16N4S — CID 67570539

IUPAC4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine
SMILESCc1cc2nc(Sc3ccnc(N)c3C)[nH]c2cc1C
InChIInChI=1S/C15H16N4S/c1-8-6-11-12(7-9(8)2)19-15(18-11)20-13-4-5-17-14(16)10(13)3/h4-7H,1-3H3,(H2,16,17)(H,18,19)
InChIKeyZOWCDKSMJMFZGL-UHFFFAOYSA-N
MW284.39 g/mol
LogP3.62
Rot. Bonds2

About 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine

4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine (PubChem CID 67570539) has the molecular formula C15H16N4S and a molecular weight of 284.39 g/mol. Its IUPAC name is 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine.

Molecular Properties

Compound Name4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine
PubChem CID67570539
Molecular FormulaC15H16N4S
Molecular Weight284.39 g/mol
Exact Mass284.11
IUPAC Name4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine
SMILESCc1cc2nc(Sc3ccnc(N)c3C)[nH]c2cc1C
InChIInChI=1S/C15H16N4S/c1-8-6-11-12(7-9(8)2)19-15(18-11)20-13-4-5-17-14(16)10(13)3/h4-7H,1-3H3,(H2,16,17)(H,18,19)
InChIKeyZOWCDKSMJMFZGL-UHFFFAOYSA-N
XLogP3.62
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfinyl]-3-methylpyridin-2-amine
CID 67570388
2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]propanoic acid
CID 650588
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
2-[(6-methyl-1,3-benzodioxol-5-yl)sulfanyl]-1H-imidazo[4,5-c]pyridin-4-amine
CID 59808545
1-S,4-S-bis(5,6-dimethyl-1H-benzimidazol-2-yl) butanebis(thioate)
CID 88663314
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-methylaniline;hydrate
CID 67570619
2-methyl-3-[[6-(trifluoromethyl)-1H-benzimidazol-2-yl]sulfanyl]aniline
CID 67570387
[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 113368309
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
4-ethylsulfanyl-3-methylpyridin-2-amine
CID 142196523
5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104670981
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]pyrazin-2-amine
CID 102988673

Frequently Asked Questions

What is the IUPAC name of 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine?
The IUPAC name of 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine (CID 67570539) is 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine.
What is the SMILES notation for 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine?
The canonical SMILES for 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine is Cc1cc2nc(Sc3ccnc(N)c3C)[nH]c2cc1C.
What is the InChIKey of 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine?
The InChIKey is ZOWCDKSMJMFZGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4S/c1-8-6-11-12(7-9(8)2)19-15(18-11)20-13-4-5-17-14(16)10(13)3/h4-7H,1-3H3,(H2,16,17)(H,18,19).
What are the key properties of 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine?
4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine has a molecular weight of 284.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanyl]-3-methylpyridin-2-amine is sourced from PubChem (CID 67570539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).