1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one

C14H18N4O — CID 64669796

IUPAC1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one
SMILESCN1CC(Nc2nc3ccccc3n2C)CCC1=O
InChIInChI=1S/C14H18N4O/c1-17-9-10(7-8-13(17)19)15-14-16-11-5-3-4-6-12(11)18(14)2/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyXJTROJSIGSORSU-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.61
Rot. Bonds2

About 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one

1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one (PubChem CID 64669796) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one
PubChem CID64669796
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one
SMILESCN1CC(Nc2nc3ccccc3n2C)CCC1=O
InChIInChI=1S/C14H18N4O/c1-17-9-10(7-8-13(17)19)15-14-16-11-5-3-4-6-12(11)18(14)2/h3-6,10H,7-9H2,1-2H3,(H,15,16)
InChIKeyXJTROJSIGSORSU-UHFFFAOYSA-N
XLogP1.61
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one?
The IUPAC name of 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one (CID 64669796) is 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one.
What is the SMILES notation for 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one?
The canonical SMILES for 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one is CN1CC(Nc2nc3ccccc3n2C)CCC1=O.
What is the InChIKey of 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one?
The InChIKey is XJTROJSIGSORSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17-9-10(7-8-13(17)19)15-14-16-11-5-3-4-6-12(11)18(14)2/h3-6,10H,7-9H2,1-2H3,(H,15,16).
What are the key properties of 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one?
1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one has a molecular weight of 258.32 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(1-methylbenzimidazol-2-yl)amino]piperidin-2-one is sourced from PubChem (CID 64669796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).