3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one

C13H16N4O2 — CID 106258949

IUPAC3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
SMILESCOc1cccc2c1nc(N)n2C1CCN(C)C1=O
InChIInChI=1S/C13H16N4O2/c1-16-7-6-9(12(16)18)17-8-4-3-5-10(19-2)11(8)15-13(17)14/h3-5,9H,6-7H2,1-2H3,(H2,14,15)
InChIKeyPFMFBOQXAOTFIV-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.03
Rot. Bonds2

About 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one

3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one (PubChem CID 106258949) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
PubChem CID106258949
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one
SMILESCOc1cccc2c1nc(N)n2C1CCN(C)C1=O
InChIInChI=1S/C13H16N4O2/c1-16-7-6-9(12(16)18)17-8-4-3-5-10(19-2)11(8)15-13(17)14/h3-5,9H,6-7H2,1-2H3,(H2,14,15)
InChIKeyPFMFBOQXAOTFIV-UHFFFAOYSA-N
XLogP1.03
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one (CID 106258949) is 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one is COc1cccc2c1nc(N)n2C1CCN(C)C1=O.
What is the InChIKey of 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
The InChIKey is PFMFBOQXAOTFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-16-7-6-9(12(16)18)17-8-4-3-5-10(19-2)11(8)15-13(17)14/h3-5,9H,6-7H2,1-2H3,(H2,14,15).
What are the key properties of 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one?
3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one has a molecular weight of 260.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-methoxybenzimidazol-1-yl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106258949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).