2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine

C21H18FN3O — CID 69191894

IUPAC2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine
SMILESFc1ccc(-c2oc3cc4c(cc3c2-c2ncc[nH]2)CCCCN4)cc1
InChIInChI=1S/C21H18FN3O/c22-15-6-4-13(5-7-15)20-19(21-24-9-10-25-21)16-11-14-3-1-2-8-23-17(14)12-18(16)26-20/h4-7,9-12,23H,1-3,8H2,(H,24,25)
InChIKeyOXDCZJURRKCDQB-UHFFFAOYSA-N
MW347.39 g/mol
LogP5.38
Rot. Bonds2

About 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine

2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine (PubChem CID 69191894) has the molecular formula C21H18FN3O and a molecular weight of 347.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine
PubChem CID69191894
Molecular FormulaC21H18FN3O
Molecular Weight347.39 g/mol
Exact Mass347.14
IUPAC Name2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine
SMILESFc1ccc(-c2oc3cc4c(cc3c2-c2ncc[nH]2)CCCCN4)cc1
InChIInChI=1S/C21H18FN3O/c22-15-6-4-13(5-7-15)20-19(21-24-9-10-25-21)16-11-14-3-1-2-8-23-17(14)12-18(16)26-20/h4-7,9-12,23H,1-3,8H2,(H,24,25)
InChIKeyOXDCZJURRKCDQB-UHFFFAOYSA-N
XLogP5.38
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.39
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine?
The IUPAC name of 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine (CID 69191894) is 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine is Fc1ccc(-c2oc3cc4c(cc3c2-c2ncc[nH]2)CCCCN4)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine?
The InChIKey is OXDCZJURRKCDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O/c22-15-6-4-13(5-7-15)20-19(21-24-9-10-25-21)16-11-14-3-1-2-8-23-17(14)12-18(16)26-20/h4-7,9-12,23H,1-3,8H2,(H,24,25).
What are the key properties of 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine?
2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine has a molecular weight of 347.39 g/mol, XLogP of 5.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(1H-imidazol-2-yl)-6,7,8,9-tetrahydro-5H-furo[3,2-h][1]benzazepine is sourced from PubChem (CID 69191894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).