11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

C26H19FN4O2 — CID 58240655

IUPAC11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCc1cc2c3c4cccnc4oc(=O)c3n(Cc3nccn3Cc3ccccc3)c2cc1F
InChIInChI=1S/C26H19FN4O2/c1-16-12-19-21(13-20(16)27)31(24-23(19)18-8-5-9-29-25(18)33-26(24)32)15-22-28-10-11-30(22)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyXLEZCGHEZINSJX-UHFFFAOYSA-N
MW438.46 g/mol
LogP5.04
Rot. Bonds4

About 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one

11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (PubChem CID 58240655) has the molecular formula C26H19FN4O2 and a molecular weight of 438.46 g/mol. Its IUPAC name is 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.

Molecular Properties

Compound Name11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
PubChem CID58240655
Molecular FormulaC26H19FN4O2
Molecular Weight438.46 g/mol
Exact Mass438.15
IUPAC Name11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one
SMILESCc1cc2c3c4cccnc4oc(=O)c3n(Cc3nccn3Cc3ccccc3)c2cc1F
InChIInChI=1S/C26H19FN4O2/c1-16-12-19-21(13-20(16)27)31(24-23(19)18-8-5-9-29-25(18)33-26(24)32)15-22-28-10-11-30(22)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3
InChIKeyXLEZCGHEZINSJX-UHFFFAOYSA-N
XLogP5.04
TPSA65.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.46
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one 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 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The IUPAC name of 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one (CID 58240655) is 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one.
What is the SMILES notation for 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The canonical SMILES for 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is Cc1cc2c3c4cccnc4oc(=O)c3n(Cc3nccn3Cc3ccccc3)c2cc1F.
What is the InChIKey of 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
The InChIKey is XLEZCGHEZINSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN4O2/c1-16-12-19-21(13-20(16)27)31(24-23(19)18-8-5-9-29-25(18)33-26(24)32)15-22-28-10-11-30(22)14-17-6-3-2-4-7-17/h2-13H,14-15H2,1H3.
What are the key properties of 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one?
11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one has a molecular weight of 438.46 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(1-benzylimidazol-2-yl)methyl]-14-fluoro-15-methyl-8-oxa-6,11-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),3,5,12(17),13,15-heptaen-9-one is sourced from PubChem (CID 58240655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).