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

C15H15N3S — CID 62874080

IUPAC5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
SMILESCc1ccc(Sc2nc3ccc(C)cc3[nH]2)c(N)c1
InChIInChI=1S/C15H15N3S/c1-9-4-6-14(11(16)7-9)19-15-17-12-5-3-10(2)8-13(12)18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyQFVDFQNVQMESEM-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.91
Rot. Bonds2

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

5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline (PubChem CID 62874080) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline.

Molecular Properties

Compound Name5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
PubChem CID62874080
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
SMILESCc1ccc(Sc2nc3ccc(C)cc3[nH]2)c(N)c1
InChIInChI=1S/C15H15N3S/c1-9-4-6-14(11(16)7-9)19-15-17-12-5-3-10(2)8-13(12)18-15/h3-8H,16H2,1-2H3,(H,17,18)
InChIKeyQFVDFQNVQMESEM-UHFFFAOYSA-N
XLogP3.91
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 107930978
2-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 80892676
5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-2-amine
CID 62873903
6-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)disulfanyl]-1H-benzimidazole;molecular hydrogen
CID 144612475
5-methyl-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]pyridin-3-amine
CID 62874588
3-fluoro-5-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline
CID 62874412
(1R)-1-[3-fluoro-4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 63835956
N'-hydroxy-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]benzenecarboximidamide
CID 76975219
[2-fluoro-6-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]methanamine
CID 79516723
2-[4-bromo-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanamine
CID 63819183
3-amino-4-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]benzonitrile
CID 43518360
(1R)-1-[4-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]phenyl]ethanol
CID 78951491

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline?
The IUPAC name of 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline (CID 62874080) is 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline.
What is the SMILES notation for 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline?
The canonical SMILES for 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline is Cc1ccc(Sc2nc3ccc(C)cc3[nH]2)c(N)c1.
What is the InChIKey of 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline?
The InChIKey is QFVDFQNVQMESEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-9-4-6-14(11(16)7-9)19-15-17-12-5-3-10(2)8-13(12)18-15/h3-8H,16H2,1-2H3,(H,17,18).
What are the key properties of 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline?
5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline has a molecular weight of 269.37 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]aniline is sourced from PubChem (CID 62874080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).