[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine

C15H15N3S — CID 104721162

IUPAC[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
SMILESCSc1ccc(-c2nc3c(CN)cccc3[nH]2)cc1
InChIInChI=1S/C15H15N3S/c1-19-12-7-5-10(6-8-12)15-17-13-4-2-3-11(9-16)14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyPJZASWLWTIMADS-UHFFFAOYSA-N
MW269.37 g/mol
LogP3.41
Rot. Bonds3

About [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine

[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine (PubChem CID 104721162) has the molecular formula C15H15N3S and a molecular weight of 269.37 g/mol. Its IUPAC name is [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
PubChem CID104721162
Molecular FormulaC15H15N3S
Molecular Weight269.37 g/mol
Exact Mass269.10
IUPAC Name[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine
SMILESCSc1ccc(-c2nc3c(CN)cccc3[nH]2)cc1
InChIInChI=1S/C15H15N3S/c1-19-12-7-5-10(6-8-12)15-17-13-4-2-3-11(9-16)14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18)
InChIKeyPJZASWLWTIMADS-UHFFFAOYSA-N
XLogP3.41
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3,5-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721059
[2-(3-methylphenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721321
[2-(4-chloro-3-fluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 107994630
[2-(2,6-difluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721233
[2-(2,3-dihydro-1-benzofuran-5-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721133
[2-(methylsulfanylmethyl)-1H-benzimidazol-4-yl]methanamine
CID 104721264
[2-(5-methylfuran-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721322
[1-methyl-2-(4-methylsulfanylphenyl)benzimidazol-4-yl]methanamine
CID 104721477
[2-(2,3,4-trifluorophenyl)-1H-benzimidazol-4-yl]methanamine
CID 104721024
[2-(furan-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721099
[2-(3-ethyl-6-methylpyridazin-4-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721029
[2-(5-chlorothiophen-2-yl)-1H-benzimidazol-4-yl]methanamine
CID 104721055

Frequently Asked Questions

What is the IUPAC name of [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine?
The IUPAC name of [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine (CID 104721162) is [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine.
What is the SMILES notation for [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine?
The canonical SMILES for [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine is CSc1ccc(-c2nc3c(CN)cccc3[nH]2)cc1.
What is the InChIKey of [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine?
The InChIKey is PJZASWLWTIMADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3S/c1-19-12-7-5-10(6-8-12)15-17-13-4-2-3-11(9-16)14(13)18-15/h2-8H,9,16H2,1H3,(H,17,18).
What are the key properties of [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine?
[2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine has a molecular weight of 269.37 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methylsulfanylphenyl)-1H-benzimidazol-4-yl]methanamine is sourced from PubChem (CID 104721162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).