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

C24H26N6O2 — CID 135227781

IUPAC6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide
SMILESCc1nnn(C)c1-c1cc(C(N)=O)c2ncn(C(c3ccccc3)C3CCOCC3)c2c1
InChIInChI=1S/C24H26N6O2/c1-15-22(29(2)28-27-15)18-12-19(24(25)31)21-20(13-18)30(14-26-21)23(16-6-4-3-5-7-16)17-8-10-32-11-9-17/h3-7,12-14,17,23H,8-11H2,1-2H3,(H2,25,31)
InChIKeyCDVYMSTYBDMNPY-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.26
Rot. Bonds5

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

6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide (PubChem CID 135227781) has the molecular formula C24H26N6O2 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide
PubChem CID135227781
Molecular FormulaC24H26N6O2
Molecular Weight430.51 g/mol
Exact Mass430.21
IUPAC Name6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide
SMILESCc1nnn(C)c1-c1cc(C(N)=O)c2ncn(C(c3ccccc3)C3CCOCC3)c2c1
InChIInChI=1S/C24H26N6O2/c1-15-22(29(2)28-27-15)18-12-19(24(25)31)21-20(13-18)30(14-26-21)23(16-6-4-3-5-7-16)17-8-10-32-11-9-17/h3-7,12-14,17,23H,8-11H2,1-2H3,(H2,25,31)
InChIKeyCDVYMSTYBDMNPY-UHFFFAOYSA-N
XLogP3.26
TPSA100.85 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide?
The IUPAC name of 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide (CID 135227781) is 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide.
What is the SMILES notation for 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide?
The canonical SMILES for 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide is Cc1nnn(C)c1-c1cc(C(N)=O)c2ncn(C(c3ccccc3)C3CCOCC3)c2c1.
What is the InChIKey of 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide?
The InChIKey is CDVYMSTYBDMNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2/c1-15-22(29(2)28-27-15)18-12-19(24(25)31)21-20(13-18)30(14-26-21)23(16-6-4-3-5-7-16)17-8-10-32-11-9-17/h3-7,12-14,17,23H,8-11H2,1-2H3,(H2,25,31).
What are the key properties of 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide?
6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyltriazol-4-yl)-1-[oxan-4-yl(phenyl)methyl]benzimidazole-4-carboxamide is sourced from PubChem (CID 135227781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).