1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine

C13H13N3S — CID 977447

IUPAC1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
SMILESCn1c(NCc2cccs2)nc2ccccc21
InChIInChI=1S/C13H13N3S/c1-16-12-7-3-2-6-11(12)15-13(16)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyLLJKZROGDBQABM-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.25
Rot. Bonds3

About 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine

1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine (PubChem CID 977447) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine.

Molecular Properties

Compound Name1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
PubChem CID977447
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine
SMILESCn1c(NCc2cccs2)nc2ccccc21
InChIInChI=1S/C13H13N3S/c1-16-12-7-3-2-6-11(12)15-13(16)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15)
InChIKeyLLJKZROGDBQABM-UHFFFAOYSA-N
XLogP3.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The IUPAC name of 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine (CID 977447) is 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine.
What is the SMILES notation for 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The canonical SMILES for 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine is Cn1c(NCc2cccs2)nc2ccccc21.
What is the InChIKey of 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
The InChIKey is LLJKZROGDBQABM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-16-12-7-3-2-6-11(12)15-13(16)14-9-10-5-4-8-17-10/h2-8H,9H2,1H3,(H,14,15).
What are the key properties of 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine?
1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(thiophen-2-ylmethyl)benzimidazol-2-amine is sourced from PubChem (CID 977447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).