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

C25H25FN4O — CID 73218544

IUPACN-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine
SMILESCc1nccn1CC1CCc2c(c3ccccc3n2C)C1=NOCc1ccc(F)cc1
InChIInChI=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
InChIKeyFJIZPPJYSQWFHD-UHFFFAOYSA-N
MW416.50 g/mol
LogP5.01
Rot. Bonds5

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 NameN-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine
PubChem CID73218544
Molecular FormulaC25H25FN4O
Molecular Weight416.50 g/mol
Exact Mass416.20
IUPAC NameN-[(4-fluorophenyl)methoxy]-9-methyl-3-[(2-methylimidazol-1-yl)methyl]-2,3-dihydro-1H-carbazol-4-imine
SMILESCc1nccn1CC1CCc2c(c3ccccc3n2C)C1=NOCc1ccc(F)cc1
InChIInChI=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
InChIKeyFJIZPPJYSQWFHD-UHFFFAOYSA-N
XLogP5.01
TPSA44.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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).