6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine

C16H19N3OS — CID 80522196

IUPAC6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(CC(C)(C)c3cccs3)c2c1
InChIInChI=1S/C16H19N3OS/c1-16(2,14-5-4-8-21-14)10-19-13-9-11(20-3)6-7-12(13)18-15(19)17/h4-9H,10H2,1-3H3,(H2,17,18)
InChIKeyNTJBRIYTPMMLHW-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.67
Rot. Bonds4

About 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine

6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine (PubChem CID 80522196) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
PubChem CID80522196
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine
SMILESCOc1ccc2nc(N)n(CC(C)(C)c3cccs3)c2c1
InChIInChI=1S/C16H19N3OS/c1-16(2,14-5-4-8-21-14)10-19-13-9-11(20-3)6-7-12(13)18-15(19)17/h4-9H,10H2,1-3H3,(H2,17,18)
InChIKeyNTJBRIYTPMMLHW-UHFFFAOYSA-N
XLogP3.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine (CID 80522196) is 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine is COc1ccc2nc(N)n(CC(C)(C)c3cccs3)c2c1.
What is the InChIKey of 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine?
The InChIKey is NTJBRIYTPMMLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-16(2,14-5-4-8-21-14)10-19-13-9-11(20-3)6-7-12(13)18-15(19)17/h4-9H,10H2,1-3H3,(H2,17,18).
What are the key properties of 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine?
6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine has a molecular weight of 301.42 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-(2-methyl-2-thiophen-2-ylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 80522196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).