1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine

C12H14N4O — CID 84626072

IUPAC1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1cn2c(nc3c(OC)cccc32)[nH]1
InChIInChI=1S/C12H14N4O/c1-13-6-8-7-16-9-4-3-5-10(17-2)11(9)15-12(16)14-8/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyWNYZSEZQDJKGEW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.54
Rot. Bonds3

About 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine

1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine (PubChem CID 84626072) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
PubChem CID84626072
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine
SMILESCNCc1cn2c(nc3c(OC)cccc32)[nH]1
InChIInChI=1S/C12H14N4O/c1-13-6-8-7-16-9-4-3-5-10(17-2)11(9)15-12(16)14-8/h3-5,7,13H,6H2,1-2H3,(H,14,15)
InChIKeyWNYZSEZQDJKGEW-UHFFFAOYSA-N
XLogP1.54
TPSA54.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine (CID 84626072) is 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine is CNCc1cn2c(nc3c(OC)cccc32)[nH]1.
What is the InChIKey of 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
The InChIKey is WNYZSEZQDJKGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-13-6-8-7-16-9-4-3-5-10(17-2)11(9)15-12(16)14-8/h3-5,7,13H,6H2,1-2H3,(H,14,15).
What are the key properties of 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine?
1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine has a molecular weight of 230.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methoxy-3H-imidazo[1,2-a]benzimidazol-2-yl)-N-methylmethanamine is sourced from PubChem (CID 84626072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).