1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine

C22H20ClN5O2 — CID 168630766

About 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine

1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine (PubChem CID 168630766) has the molecular formula C22H20ClN5O2 and a molecular weight of 421.89 g/mol. Its IUPAC name is 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine.

Molecular Properties

• Compound Name: 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
• PubChem CID: 168630766
• Molecular Formula: C22H20ClN5O2
• Molecular Weight: 421.89 g/mol
• Exact Mass: 421.13
• IUPAC Name: 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine
• SMILES: Cc1cn(N=Cc2ccc(OCc3nc(-c4ccccc4Cl)oc3C)cc2)c(N)n1
• InChI: InChI=1S/C22H20ClN5O2/c1-14-12-28(22(24)26-14)25-11-16-7-9-17(10-8-16)29-13-20-15(2)30-21(27-20)18-5-3-4-6-19(18)23/h3-12H,13H2,1-2H3,(H2,24,26)
• InChIKey: MJTILZVHBFRISM-UHFFFAOYSA-N
• XLogP: 4.85
• TPSA: 91.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.89
LogP ≤ 5	4.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?

The IUPAC name of 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine (CID 168630766) is 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine.

What is the SMILES notation for 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?

The canonical SMILES for 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine is Cc1cn(N=Cc2ccc(OCc3nc(-c4ccccc4Cl)oc3C)cc2)c(N)n1.

What is the InChIKey of 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?

The InChIKey is MJTILZVHBFRISM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN5O2/c1-14-12-28(22(24)26-14)25-11-16-7-9-17(10-8-16)29-13-20-15(2)30-21(27-20)18-5-3-4-6-19(18)23/h3-12H,13H2,1-2H3,(H2,24,26).

What are the key properties of 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine?

1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine has a molecular weight of 421.89 g/mol, XLogP of 4.85, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[4-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methylideneamino]-4-methylimidazol-2-amine is sourced from PubChem (CID 168630766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).