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

C13H12N4S — CID 62873903

IUPAC5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
SMILESCc1ccc2nc(Sc3ccc(N)nc3)[nH]c2c1
InChIInChI=1S/C13H12N4S/c1-8-2-4-10-11(6-8)17-13(16-10)18-9-3-5-12(14)15-7-9/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyVECSGBTWOIHBJE-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.00
Rot. Bonds2

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

5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine (PubChem CID 62873903) has the molecular formula C13H12N4S and a molecular weight of 256.33 g/mol. Its IUPAC name is 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
PubChem CID62873903
Molecular FormulaC13H12N4S
Molecular Weight256.33 g/mol
Exact Mass256.08
IUPAC Name5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
SMILESCc1ccc2nc(Sc3ccc(N)nc3)[nH]c2c1
InChIInChI=1S/C13H12N4S/c1-8-2-4-10-11(6-8)17-13(16-10)18-9-3-5-12(14)15-7-9/h2-7H,1H3,(H2,14,15)(H,16,17)
InChIKeyVECSGBTWOIHBJE-UHFFFAOYSA-N
XLogP3.00
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
CID 62874588
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874080
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzoic acid
CID 62875595
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-2-pyridinyl]hydrazine
CID 113368309
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidine-5-carbaldehyde
CID 113388625
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3H-benzimidazol-5-amine
CID 61372787
3-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 102818482
2-[(5-chloro-3-fluoro-2-pyridinyl)sulfanyl]-6-methyl-1H-benzimidazole
CID 79734645

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine?
The IUPAC name of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine (CID 62873903) is 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine.
What is the SMILES notation for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine?
The canonical SMILES for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine is Cc1ccc2nc(Sc3ccc(N)nc3)[nH]c2c1.
What is the InChIKey of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine?
The InChIKey is VECSGBTWOIHBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4S/c1-8-2-4-10-11(6-8)17-13(16-10)18-9-3-5-12(14)15-7-9/h2-7H,1H3,(H2,14,15)(H,16,17).
What are the key properties of 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine?
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine has a molecular weight of 256.33 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine is sourced from PubChem (CID 62873903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).