N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide

C25H24N4O2 — CID 154681643

IUPACN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3cccc(Oc4cccnc4)c3)n2C)cc1C
InChIInChI=1S/C25H24N4O2/c1-16-11-18(3)22(12-17(16)2)23-15-27-25(29(23)4)28-24(30)19-7-5-8-20(13-19)31-21-9-6-10-26-14-21/h5-15H,1-4H3,(H,27,28,30)
InChIKeyYCFOBFUFGCMBGA-UHFFFAOYSA-N
MW412.49 g/mol
LogP5.45
Rot. Bonds5

About N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide

N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide (PubChem CID 154681643) has the molecular formula C25H24N4O2 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide
PubChem CID154681643
Molecular FormulaC25H24N4O2
Molecular Weight412.49 g/mol
Exact Mass412.19
IUPAC NameN-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide
SMILESCc1cc(C)c(-c2cnc(NC(=O)c3cccc(Oc4cccnc4)c3)n2C)cc1C
InChIInChI=1S/C25H24N4O2/c1-16-11-18(3)22(12-17(16)2)23-15-27-25(29(23)4)28-24(30)19-7-5-8-20(13-19)31-21-9-6-10-26-14-21/h5-15H,1-4H3,(H,27,28,30)
InChIKeyYCFOBFUFGCMBGA-UHFFFAOYSA-N
XLogP5.45
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.49
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide?
The IUPAC name of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide (CID 154681643) is N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide is Cc1cc(C)c(-c2cnc(NC(=O)c3cccc(Oc4cccnc4)c3)n2C)cc1C.
What is the InChIKey of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide?
The InChIKey is YCFOBFUFGCMBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O2/c1-16-11-18(3)22(12-17(16)2)23-15-27-25(29(23)4)28-24(30)19-7-5-8-20(13-19)31-21-9-6-10-26-14-21/h5-15H,1-4H3,(H,27,28,30).
What are the key properties of N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide?
N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide has a molecular weight of 412.49 g/mol, XLogP of 5.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-methyl-5-(2,4,5-trimethylphenyl)imidazol-2-yl]-3-pyridin-3-yloxybenzamide is sourced from PubChem (CID 154681643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).