4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide

C23H19ClN4O2 — CID 25102758

IUPAC4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(-c3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-30-19-9-6-16(7-10-19)20-14-28(13-15-2-4-17(5-3-15)22(25)29)23(27-20)18-8-11-21(24)26-12-18/h2-12,14H,13H2,1H3,(H2,25,29)
InChIKeySIKGSHWCRUNJTB-UHFFFAOYSA-N
MW418.88 g/mol
LogP4.42
Rot. Bonds6

About 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide

4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide (PubChem CID 25102758) has the molecular formula C23H19ClN4O2 and a molecular weight of 418.88 g/mol. Its IUPAC name is 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
PubChem CID25102758
Molecular FormulaC23H19ClN4O2
Molecular Weight418.88 g/mol
Exact Mass418.12
IUPAC Name4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide
SMILESCOc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(-c3ccc(Cl)nc3)n2)cc1
InChIInChI=1S/C23H19ClN4O2/c1-30-19-9-6-16(7-10-19)20-14-28(13-15-2-4-17(5-3-15)22(25)29)23(27-20)18-8-11-21(24)26-12-18/h2-12,14H,13H2,1H3,(H2,25,29)
InChIKeySIKGSHWCRUNJTB-UHFFFAOYSA-N
XLogP4.42
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.88
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide?
The IUPAC name of 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide (CID 25102758) is 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide.
What is the SMILES notation for 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide?
The canonical SMILES for 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide is COc1ccc(-c2cn(Cc3ccc(C(N)=O)cc3)c(-c3ccc(Cl)nc3)n2)cc1.
What is the InChIKey of 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide?
The InChIKey is SIKGSHWCRUNJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN4O2/c1-30-19-9-6-16(7-10-19)20-14-28(13-15-2-4-17(5-3-15)22(25)29)23(27-20)18-8-11-21(24)26-12-18/h2-12,14H,13H2,1H3,(H2,25,29).
What are the key properties of 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide?
4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide has a molecular weight of 418.88 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(6-chloro-3-pyridinyl)-4-(4-methoxyphenyl)imidazol-1-yl]methyl]benzamide is sourced from PubChem (CID 25102758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).