10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

C18H13F3N2O2 — CID 71150357

IUPAC10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(c2)-c2nccn2CCO3)cc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)25-14-4-1-12(2-5-14)13-3-6-16-15(11-13)17-22-7-8-23(17)9-10-24-16/h1-8,11H,9-10H2
InChIKeyMTPQNGUFZGFQBD-UHFFFAOYSA-N
MW346.31 g/mol
LogP4.51
Rot. Bonds2

About 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine

10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (PubChem CID 71150357) has the molecular formula C18H13F3N2O2 and a molecular weight of 346.31 g/mol. Its IUPAC name is 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.

Molecular Properties

Compound Name10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
PubChem CID71150357
Molecular FormulaC18H13F3N2O2
Molecular Weight346.31 g/mol
Exact Mass346.09
IUPAC Name10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine
SMILESFC(F)(F)Oc1ccc(-c2ccc3c(c2)-c2nccn2CCO3)cc1
InChIInChI=1S/C18H13F3N2O2/c19-18(20,21)25-14-4-1-12(2-5-14)13-3-6-16-15(11-13)17-22-7-8-23(17)9-10-24-16/h1-8,11H,9-10H2
InChIKeyMTPQNGUFZGFQBD-UHFFFAOYSA-N
XLogP4.51
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The IUPAC name of 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine (CID 71150357) is 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine.
What is the SMILES notation for 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The canonical SMILES for 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is FC(F)(F)Oc1ccc(-c2ccc3c(c2)-c2nccn2CCO3)cc1.
What is the InChIKey of 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
The InChIKey is MTPQNGUFZGFQBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N2O2/c19-18(20,21)25-14-4-1-12(2-5-14)13-3-6-16-15(11-13)17-22-7-8-23(17)9-10-24-16/h1-8,11H,9-10H2.
What are the key properties of 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine?
10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine has a molecular weight of 346.31 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[4-(trifluoromethoxy)phenyl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepine is sourced from PubChem (CID 71150357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).