5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one

C23H30N4O4 — CID 122512239

IUPAC5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCOCC(COC)n1c(-c2cc(C)c(=O)n(C)c2)nc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3
InChIKeyDDSHVVXWYKDTTQ-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.38
Rot. Bonds7

About 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one

5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 122512239) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID122512239
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC Name5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCOCC(COC)n1c(-c2cc(C)c(=O)n(C)c2)nc2cc(N3CCOCC3)ccc21
InChIInChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3
InChIKeyDDSHVVXWYKDTTQ-UHFFFAOYSA-N
XLogP2.38
TPSA70.75 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one (CID 122512239) is 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one is COCC(COC)n1c(-c2cc(C)c(=O)n(C)c2)nc2cc(N3CCOCC3)ccc21.
What is the InChIKey of 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is DDSHVVXWYKDTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-16-11-17(13-25(2)23(16)28)22-24-20-12-18(26-7-9-31-10-8-26)5-6-21(20)27(22)19(14-29-3)15-30-4/h5-6,11-13,19H,7-10,14-15H2,1-4H3.
What are the key properties of 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one?
5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 426.52 g/mol, XLogP of 2.38, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-ylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 122512239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).