5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one

C24H31N3O3 — CID 126582733

IUPAC5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
SMILESCCOC[C@H](C)n1c(C2CCOCC2)nc2ccc(-c3cc(C)c(=O)n(C)c3)cc21
InChIInChI=1S/C24H31N3O3/c1-5-29-15-17(3)27-22-13-19(20-12-16(2)24(28)26(4)14-20)6-7-21(22)25-23(27)18-8-10-30-11-9-18/h6-7,12-14,17-18H,5,8-11,15H2,1-4H3/t17-/m0/s1
InChIKeyOOBPLMZDTNNLCW-KRWDZBQOSA-N
MW409.53 g/mol
LogP4.20
Rot. Bonds6

About 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one

5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one (PubChem CID 126582733) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
PubChem CID126582733
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
SMILESCCOC[C@H](C)n1c(C2CCOCC2)nc2ccc(-c3cc(C)c(=O)n(C)c3)cc21
InChIInChI=1S/C24H31N3O3/c1-5-29-15-17(3)27-22-13-19(20-12-16(2)24(28)26(4)14-20)6-7-21(22)25-23(27)18-8-10-30-11-9-18/h6-7,12-14,17-18H,5,8-11,15H2,1-4H3/t17-/m0/s1
InChIKeyOOBPLMZDTNNLCW-KRWDZBQOSA-N
XLogP4.20
TPSA58.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one with MolForge

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Related Compounds

5-[3-(2-ethoxypropyl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 135306884
5-[3-(2-ethoxy-2-hydroxypropyl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 154976939
1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582741
tert-butyl N-[2-[2-[6-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(oxan-4-yl)benzimidazol-1-yl]ethoxy]ethyl]carbamate
CID 176893483
6-bromo-2-(oxan-4-yl)-1-[2-(trifluoromethoxy)ethyl]benzimidazole;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 159329509
1,3-dimethyl-5-[2-(oxolan-3-yl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one
CID 126582821
5-[2-cyclohexyl-3-(2-methoxypropyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 157220948
5-[2-(3,3-difluorocyclobutyl)-3-(2-ethoxypropyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 135306899
5-[2-(4,4-difluorocyclohexyl)-3-[(2S)-2-methoxypropyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane
CID 158770711
5-(2-cyclopropyl-3-propylbenzimidazol-5-yl)-3-ethyl-1-methylpyridin-2-one
CID 126572539
5-[4-amino-3-[[(2S)-1-ethoxypropan-2-yl]amino]phenyl]-1,3-dimethylpyridin-2-one
CID 126582765
5-[2-cyclopropyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[2-(4,4-difluorocyclohexyl)-3-(2-methoxyethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[2-(oxan-3-ylmethyl)-3-[2-(trifluoromethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(2,2,2-trifluoroethoxy)ethyl]benzimidazol-5-yl]pyridin-2-one;5-[3-[(2S)-2-ethoxypropyl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;5-[3-(2-methoxyethyl)-2-(oxan-3-ylmethyl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one;sulfane
CID 159714615

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one (CID 126582733) is 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one is CCOC[C@H](C)n1c(C2CCOCC2)nc2ccc(-c3cc(C)c(=O)n(C)c3)cc21.
What is the InChIKey of 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is OOBPLMZDTNNLCW-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-5-29-15-17(3)27-22-13-19(20-12-16(2)24(28)26(4)14-20)6-7-21(22)25-23(27)18-8-10-30-11-9-18/h6-7,12-14,17-18H,5,8-11,15H2,1-4H3/t17-/m0/s1.
What are the key properties of 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one?
5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 409.53 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2S)-1-ethoxypropan-2-yl]-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 126582733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).