(5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one

C19H24N6O — CID 154761433

IUPAC(5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one
SMILESCN1C(=O)CC[C@@H](NCc2ccc3c(c2)ncn3C)[C@@H]1c1nccn1C
InChIInChI=1S/C19H24N6O/c1-23-9-8-20-19(23)18-14(5-7-17(26)25(18)3)21-11-13-4-6-16-15(10-13)22-12-24(16)2/h4,6,8-10,12,14,18,21H,5,7,11H2,1-3H3/t14-,18-/m1/s1
InChIKeyHUHGBPXHJLCHKZ-RDTXWAMCSA-N
MW352.44 g/mol
LogP1.76
Rot. Bonds4

About (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one

(5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one (PubChem CID 154761433) has the molecular formula C19H24N6O and a molecular weight of 352.44 g/mol. Its IUPAC name is (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one.

Molecular Properties

Compound Name(5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one
PubChem CID154761433
Molecular FormulaC19H24N6O
Molecular Weight352.44 g/mol
Exact Mass352.20
IUPAC Name(5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one
SMILESCN1C(=O)CC[C@@H](NCc2ccc3c(c2)ncn3C)[C@@H]1c1nccn1C
InChIInChI=1S/C19H24N6O/c1-23-9-8-20-19(23)18-14(5-7-17(26)25(18)3)21-11-13-4-6-16-15(10-13)22-12-24(16)2/h4,6,8-10,12,14,18,21H,5,7,11H2,1-3H3/t14-,18-/m1/s1
InChIKeyHUHGBPXHJLCHKZ-RDTXWAMCSA-N
XLogP1.76
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one?
The IUPAC name of (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one (CID 154761433) is (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one.
What is the SMILES notation for (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one?
The canonical SMILES for (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one is CN1C(=O)CC[C@@H](NCc2ccc3c(c2)ncn3C)[C@@H]1c1nccn1C.
What is the InChIKey of (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one?
The InChIKey is HUHGBPXHJLCHKZ-RDTXWAMCSA-N. The full InChI is InChI=1S/C19H24N6O/c1-23-9-8-20-19(23)18-14(5-7-17(26)25(18)3)21-11-13-4-6-16-15(10-13)22-12-24(16)2/h4,6,8-10,12,14,18,21H,5,7,11H2,1-3H3/t14-,18-/m1/s1.
What are the key properties of (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one?
(5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one has a molecular weight of 352.44 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6R)-1-methyl-5-[(1-methylbenzimidazol-5-yl)methylamino]-6-(1-methylimidazol-2-yl)piperidin-2-one is sourced from PubChem (CID 154761433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).