5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one

C18H21N3O2 — CID 126572489

IUPAC5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
SMILESCOC[C@@H](C)n1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cc21
InChIInChI=1S/C18H21N3O2/c1-12-7-15(9-20(3)18(12)22)14-5-6-16-17(8-14)21(11-19-16)13(2)10-23-4/h5-9,11,13H,10H2,1-4H3/t13-/m1/s1
InChIKeyGBJIWDXQCOOGOB-CYBMUJFWSA-N
MW311.39 g/mol
LogP2.92
Rot. Bonds4

About 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one

5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one (PubChem CID 126572489) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
PubChem CID126572489
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
SMILESCOC[C@@H](C)n1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cc21
InChIInChI=1S/C18H21N3O2/c1-12-7-15(9-20(3)18(12)22)14-5-6-16-17(8-14)21(11-19-16)13(2)10-23-4/h5-9,11,13H,10H2,1-4H3/t13-/m1/s1
InChIKeyGBJIWDXQCOOGOB-CYBMUJFWSA-N
XLogP2.92
TPSA49.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one (CID 126572489) is 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one is COC[C@@H](C)n1cnc2ccc(-c3cc(C)c(=O)n(C)c3)cc21.
What is the InChIKey of 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is GBJIWDXQCOOGOB-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-15(9-20(3)18(12)22)14-5-6-16-17(8-14)21(11-19-16)13(2)10-23-4/h5-9,11,13H,10H2,1-4H3/t13-/m1/s1.
What are the key properties of 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one?
5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 311.39 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2R)-1-methoxypropan-2-yl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 126572489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).