6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide

C25H26N4O3 — CID 135227983

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2ncn(C(c3ccccc3)C3CCOCC3)c2c1
InChIInChI=1S/C25H26N4O3/c1-15-22(16(2)32-28-15)19-12-20(25(26)30)23-21(13-19)29(14-27-23)24(17-6-4-3-5-7-17)18-8-10-31-11-9-18/h3-7,12-14,18,24H,8-11H2,1-2H3,(H2,26,30)
InChIKeyGHILXNAPIHTQCT-UHFFFAOYSA-N
MW430.51 g/mol
LogP4.42
Rot. Bonds5

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide

6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide (PubChem CID 135227983) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide
PubChem CID135227983
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide
SMILESCc1noc(C)c1-c1cc(C(N)=O)c2ncn(C(c3ccccc3)C3CCOCC3)c2c1
InChIInChI=1S/C25H26N4O3/c1-15-22(16(2)32-28-15)19-12-20(25(26)30)23-21(13-19)29(14-27-23)24(17-6-4-3-5-7-17)18-8-10-31-11-9-18/h3-7,12-14,18,24H,8-11H2,1-2H3,(H2,26,30)
InChIKeyGHILXNAPIHTQCT-UHFFFAOYSA-N
XLogP4.42
TPSA96.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide (CID 135227983) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide is Cc1noc(C)c1-c1cc(C(N)=O)c2ncn(C(c3ccccc3)C3CCOCC3)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide?
The InChIKey is GHILXNAPIHTQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-15-22(16(2)32-28-15)19-12-20(25(26)30)23-21(13-19)29(14-27-23)24(17-6-4-3-5-7-17)18-8-10-31-11-9-18/h3-7,12-14,18,24H,8-11H2,1-2H3,(H2,26,30).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 135227983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).