5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine

C14H14N4S — CID 62874588

IUPAC5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
SMILESCc1ccc2nc(Sc3ncc(N)cc3C)[nH]c2c1
InChIInChI=1S/C14H14N4S/c1-8-3-4-11-12(5-8)18-14(17-11)19-13-9(2)6-10(15)7-16-13/h3-7H,15H2,1-2H3,(H,17,18)
InChIKeyWTEUVULXUFWNAS-UHFFFAOYSA-N
MW270.36 g/mol
LogP3.31
Rot. Bonds2

About 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine

5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine (PubChem CID 62874588) has the molecular formula C14H14N4S and a molecular weight of 270.36 g/mol. Its IUPAC name is 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
PubChem CID62874588
Molecular FormulaC14H14N4S
Molecular Weight270.36 g/mol
Exact Mass270.09
IUPAC Name5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
SMILESCc1ccc2nc(Sc3ncc(N)cc3C)[nH]c2c1
InChIInChI=1S/C14H14N4S/c1-8-3-4-11-12(5-8)18-14(17-11)19-13-9(2)6-10(15)7-16-13/h3-7H,15H2,1-2H3,(H,17,18)
InChIKeyWTEUVULXUFWNAS-UHFFFAOYSA-N
XLogP3.31
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
CID 79734645
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 113388625
3,5-dichloro-N-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 102761461
5-methyl-6-(1H-1,2,4-triazol-5-ylsulfanyl)pyridin-3-amine
CID 62476249
[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 113368309
2-ethylsulfanyl-6-methyl-1H-benzimidazole
CID 923755
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3H-benzimidazol-5-amine
CID 61372787

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine?
The IUPAC name of 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine (CID 62874588) is 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine is Cc1ccc2nc(Sc3ncc(N)cc3C)[nH]c2c1.
What is the InChIKey of 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine?
The InChIKey is WTEUVULXUFWNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S/c1-8-3-4-11-12(5-8)18-14(17-11)19-13-9(2)6-10(15)7-16-13/h3-7H,15H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine?
5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine has a molecular weight of 270.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine is sourced from PubChem (CID 62874588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).