5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole

C19H16F2N2O — CID 162562838

IUPAC5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
SMILESC=C1c2cc(OC(F)F)ccc2CN1c1ccc2c(ccn2C)c1
InChIInChI=1S/C19H16F2N2O/c1-12-17-10-16(24-19(20)21)5-3-14(17)11-23(12)15-4-6-18-13(9-15)7-8-22(18)2/h3-10,19H,1,11H2,2H3
InChIKeyBQGUDVBEPDUQAZ-UHFFFAOYSA-N
MW326.35 g/mol
LogP4.77
Rot. Bonds3

About 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole

5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole (PubChem CID 162562838) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole.

Molecular Properties

Compound Name5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
PubChem CID162562838
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole
SMILESC=C1c2cc(OC(F)F)ccc2CN1c1ccc2c(ccn2C)c1
InChIInChI=1S/C19H16F2N2O/c1-12-17-10-16(24-19(20)21)5-3-14(17)11-23(12)15-4-6-18-13(9-15)7-8-22(18)2/h3-10,19H,1,11H2,2H3
InChIKeyBQGUDVBEPDUQAZ-UHFFFAOYSA-N
XLogP4.77
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The IUPAC name of 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole (CID 162562838) is 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole.
What is the SMILES notation for 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The canonical SMILES for 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole is C=C1c2cc(OC(F)F)ccc2CN1c1ccc2c(ccn2C)c1.
What is the InChIKey of 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
The InChIKey is BQGUDVBEPDUQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/c1-12-17-10-16(24-19(20)21)5-3-14(17)11-23(12)15-4-6-18-13(9-15)7-8-22(18)2/h3-10,19H,1,11H2,2H3.
What are the key properties of 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole?
5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole has a molecular weight of 326.35 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-3-methylidene-2-(1-methylindol-5-yl)-1H-isoindole is sourced from PubChem (CID 162562838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).