4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide

C23H19BrN4O2 — CID 86648382

IUPAC4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
SMILESCc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2cccc(Br)n2)cc1
InChIInChI=1S/C23H19BrN4O2/c1-15-5-6-17(22-25-11-12-26-22)13-20(15)28-23(29)16-7-9-19(10-8-16)30-14-18-3-2-4-21(24)27-18/h2-13H,14H2,1H3,(H,25,26)(H,28,29)
InChIKeyWSMNRCTWDBLPEM-UHFFFAOYSA-N
MW463.34 g/mol
LogP5.37
Rot. Bonds6

About 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide

4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide (PubChem CID 86648382) has the molecular formula C23H19BrN4O2 and a molecular weight of 463.34 g/mol. Its IUPAC name is 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide.

Molecular Properties

Compound Name4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
PubChem CID86648382
Molecular FormulaC23H19BrN4O2
Molecular Weight463.34 g/mol
Exact Mass462.07
IUPAC Name4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide
SMILESCc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2cccc(Br)n2)cc1
InChIInChI=1S/C23H19BrN4O2/c1-15-5-6-17(22-25-11-12-26-22)13-20(15)28-23(29)16-7-9-19(10-8-16)30-14-18-3-2-4-21(24)27-18/h2-13H,14H2,1H3,(H,25,26)(H,28,29)
InChIKeyWSMNRCTWDBLPEM-UHFFFAOYSA-N
XLogP5.37
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.34
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-chloro-5-(1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68743448
N-[2-methyl-5-(2H-triazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 68746808
N-[5-(1H-imidazol-2-yl)-2-methylphenyl]-4-[methyl(pyridin-2-yl)amino]benzamide
CID 68747636
N-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 141233579
N-[5-(5-formyl-1-methylimidazol-4-yl)-2-methylphenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 86648378
N-[5-(1,3-benzothiazol-2-yl)-2-methylphenyl]-4-phenylmethoxybenzamide
CID 4053442
N-[2-(aminomethyl)-5-(5-ethyl-1H-imidazol-2-yl)phenyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 174620648
4-butoxy-N-(5-imidazo[1,2-a]pyrimidin-2-yl-2-methylphenyl)benzamide
CID 7080212
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-3-butoxybenzamide
CID 3114141
N-(5-chloro-2-methylphenyl)-4-[(4-methylphenoxy)methyl]benzamide
CID 4008136
N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-4-ethoxybenzamide
CID 1109001
N-(5-bromo-2-methylphenyl)-4-methylbenzamide
CID 43806352

Frequently Asked Questions

What is the IUPAC name of 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide?
The IUPAC name of 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide (CID 86648382) is 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide.
What is the SMILES notation for 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide?
The canonical SMILES for 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide is Cc1ccc(-c2ncc[nH]2)cc1NC(=O)c1ccc(OCc2cccc(Br)n2)cc1.
What is the InChIKey of 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide?
The InChIKey is WSMNRCTWDBLPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19BrN4O2/c1-15-5-6-17(22-25-11-12-26-22)13-20(15)28-23(29)16-7-9-19(10-8-16)30-14-18-3-2-4-21(24)27-18/h2-13H,14H2,1H3,(H,25,26)(H,28,29).
What are the key properties of 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide?
4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide has a molecular weight of 463.34 g/mol, XLogP of 5.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-bromo-2-pyridinyl)methoxy]-N-[5-(1H-imidazol-2-yl)-2-methylphenyl]benzamide is sourced from PubChem (CID 86648382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).