[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine

C14H15N3S — CID 113444368

IUPAC[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine
SMILESCc1cscc1-c1nc2ccc(CN)cc2n1C
InChIInChI=1S/C14H15N3S/c1-9-7-18-8-11(9)14-16-12-4-3-10(6-15)5-13(12)17(14)2/h3-5,7-8H,6,15H2,1-2H3
InChIKeyGUVBVNQLUGRIDT-UHFFFAOYSA-N
MW257.36 g/mol
LogP3.07
Rot. Bonds2

About [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine

[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine (PubChem CID 113444368) has the molecular formula C14H15N3S and a molecular weight of 257.36 g/mol. Its IUPAC name is [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine
PubChem CID113444368
Molecular FormulaC14H15N3S
Molecular Weight257.36 g/mol
Exact Mass257.10
IUPAC Name[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine
SMILESCc1cscc1-c1nc2ccc(CN)cc2n1C
InChIInChI=1S/C14H15N3S/c1-9-7-18-8-11(9)14-16-12-4-3-10(6-15)5-13(12)17(14)2/h3-5,7-8H,6,15H2,1-2H3
InChIKeyGUVBVNQLUGRIDT-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine?
The IUPAC name of [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine (CID 113444368) is [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine.
What is the SMILES notation for [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine?
The canonical SMILES for [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine is Cc1cscc1-c1nc2ccc(CN)cc2n1C.
What is the InChIKey of [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine?
The InChIKey is GUVBVNQLUGRIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3S/c1-9-7-18-8-11(9)14-16-12-4-3-10(6-15)5-13(12)17(14)2/h3-5,7-8H,6,15H2,1-2H3.
What are the key properties of [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine?
[3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine has a molecular weight of 257.36 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-(4-methylthiophen-3-yl)benzimidazol-5-yl]methanamine is sourced from PubChem (CID 113444368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).