N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

C25H22N4O3 — CID 86648378

IUPACN-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ncn(C)c2C=O)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H22N4O3/c1-17-6-7-19(24-23(14-30)29(2)16-27-24)13-22(17)28-25(31)18-8-10-21(11-9-18)32-15-20-5-3-4-12-26-20/h3-14,16H,15H2,1-2H3,(H,28,31)
InChIKeyXPLKIGAXPFWZCR-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.43
Rot. Bonds7

About N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide

N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (PubChem CID 86648378) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
PubChem CID86648378
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC NameN-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
SMILESCc1ccc(-c2ncn(C)c2C=O)cc1NC(=O)c1ccc(OCc2ccccn2)cc1
InChIInChI=1S/C25H22N4O3/c1-17-6-7-19(24-23(14-30)29(2)16-27-24)13-22(17)28-25(31)18-8-10-21(11-9-18)32-15-20-5-3-4-12-26-20/h3-14,16H,15H2,1-2H3,(H,28,31)
InChIKeyXPLKIGAXPFWZCR-UHFFFAOYSA-N
XLogP4.43
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233579
N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68746808
N-[2-chloro-5-(1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68743448
4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
CID 86648382
N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 174620648
N-cyclopropyl-3-[[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]amino]-4-methylbenzamide
CID 11419031
4-phenyl-N-[3-(pyridin-2-ylmethoxy)phenyl]benzamide
CID 38670554
4-ethoxy-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 1017646
N,N'-bis(2-methylphenyl)-2-[[4-(pyridin-2-ylmethoxy)phenyl]methylidene]propanediamide
CID 55769173
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
4-(pyridin-2-ylmethoxy)-N-[3-(1,3-thiazol-2-yl)phenyl]benzamide
CID 67379971

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The IUPAC name of N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide (CID 86648378) is N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The canonical SMILES for N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is Cc1ccc(-c2ncn(C)c2C=O)cc1NC(=O)c1ccc(OCc2ccccn2)cc1.
What is the InChIKey of N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
The InChIKey is XPLKIGAXPFWZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-17-6-7-19(24-23(14-30)29(2)16-27-24)13-22(17)28-25(31)18-8-10-21(11-9-18)32-15-20-5-3-4-12-26-20/h3-14,16H,15H2,1-2H3,(H,28,31).
What are the key properties of N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide?
N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide has a molecular weight of 426.48 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide is sourced from PubChem (CID 86648378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).