5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol

C25H35N3O3 — CID 166736399

IUPAC5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol
SMILESCCOCC(C)(C)n1c(C2CCOCC2)nc2ccc(C3=CN(C)C(O)C(C)=C3)cc21
InChIInChI=1S/C25H35N3O3/c1-6-30-16-25(3,4)28-22-14-19(20-13-17(2)24(29)27(5)15-20)7-8-21(22)26-23(28)18-9-11-31-12-10-18/h7-8,13-15,18,24,29H,6,9-12,16H2,1-5H3
InChIKeyPXGMKZIQKXZXIE-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.25
Rot. Bonds6

About 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol

5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol (PubChem CID 166736399) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol.

Molecular Properties

Compound Name5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol
PubChem CID166736399
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol
SMILESCCOCC(C)(C)n1c(C2CCOCC2)nc2ccc(C3=CN(C)C(O)C(C)=C3)cc21
InChIInChI=1S/C25H35N3O3/c1-6-30-16-25(3,4)28-22-14-19(20-13-17(2)24(29)27(5)15-20)7-8-21(22)26-23(28)18-9-11-31-12-10-18/h7-8,13-15,18,24,29H,6,9-12,16H2,1-5H3
InChIKeyPXGMKZIQKXZXIE-UHFFFAOYSA-N
XLogP4.25
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol?
The IUPAC name of 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol (CID 166736399) is 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol.
What is the SMILES notation for 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol?
The canonical SMILES for 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol is CCOCC(C)(C)n1c(C2CCOCC2)nc2ccc(C3=CN(C)C(O)C(C)=C3)cc21.
What is the InChIKey of 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol?
The InChIKey is PXGMKZIQKXZXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-6-30-16-25(3,4)28-22-14-19(20-13-17(2)24(29)27(5)15-20)7-8-21(22)26-23(28)18-9-11-31-12-10-18/h7-8,13-15,18,24,29H,6,9-12,16H2,1-5H3.
What are the key properties of 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol?
5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol has a molecular weight of 425.57 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(1-ethoxy-2-methylpropan-2-yl)-2-(oxan-4-yl)benzimidazol-5-yl]-1,3-dimethyl-2H-pyridin-2-ol is sourced from PubChem (CID 166736399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).