N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine

C25H25FN4O — CID 73218544

About N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine

N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine (PubChem CID 73218544) has the molecular formula C25H25FN4O and a molecular weight of 416.50 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine
• PubChem CID: 73218544
• Molecular Formula: C25H25FN4O
• Molecular Weight: 416.50 g/mol
• Exact Mass: 416.20
• IUPAC Name: N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine
• SMILES: Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=NOCc1ccc(F)cc1
• InChI: InChI=1S/C25H25FN4O/c1-17-27-13-14-30(17)15-19-9-12-23-24(21-5-3-4-6-22(21)29(23)2)25(19)28-31-16-18-7-10-20(26)11-8-18/h3-8,10-11,13-14,19H,9,12,15-16H2,1-2H3
• InChIKey: FJIZPPJYSQWFHD-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 44.34 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	416.50
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine?

The IUPAC name of N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine (CID 73218544) is N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine.

What is the SMILES notation for N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine?

The canonical SMILES for N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine is Cc1nccn1CC1CCc2c(c3ccccc3n2C)C1=NOCc1ccc(F)cc1.

What is the InChIKey of N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine?

The InChIKey is FJIZPPJYSQWFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O/c1-17-27-13-14-30(17)15-19-9-12-23-24(21-5-3-4-6-22(21)29(23)2)25(19)28-31-16-18-7-10-20(26)11-8-18/h3-8,10-11,13-14,19H,9,12,15-16H2,1-2H3.

What are the key properties of N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine?

N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine has a molecular weight of 416.50 g/mol, XLogP of 5.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine is sourced from PubChem (CID 73218544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).