6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine

C13H13N3OS — CID 23575380

IUPAC6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3cscc3C)[nH]c2c1
InChIInChI=1S/C13H13N3OS/c1-8-6-18-7-12(8)16-13-14-10-4-3-9(17-2)5-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyCABIINZVRDEUJG-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.69
Rot. Bonds3

About 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine

6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine (PubChem CID 23575380) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
PubChem CID23575380
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine
SMILESCOc1ccc2nc(Nc3cscc3C)[nH]c2c1
InChIInChI=1S/C13H13N3OS/c1-8-6-18-7-12(8)16-13-14-10-4-3-9(17-2)5-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16)
InChIKeyCABIINZVRDEUJG-UHFFFAOYSA-N
XLogP3.69
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine?
The IUPAC name of 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine (CID 23575380) is 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine is COc1ccc2nc(Nc3cscc3C)[nH]c2c1.
What is the InChIKey of 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine?
The InChIKey is CABIINZVRDEUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-8-6-18-7-12(8)16-13-14-10-4-3-9(17-2)5-11(10)15-13/h3-7H,1-2H3,(H2,14,15,16).
What are the key properties of 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine?
6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine has a molecular weight of 259.33 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(4-methylthiophen-3-yl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 23575380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).