2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione

C19H14F3N3O2 — CID 143205880

IUPAC2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione
SMILESCC(C)n1c(C(F)(F)F)nc2cc(N3C(=O)c4ccccc4C3=O)ccc21
InChIInChI=1S/C19H14F3N3O2/c1-10(2)24-15-8-7-11(9-14(15)23-18(24)19(20,21)22)25-16(26)12-5-3-4-6-13(12)17(25)27/h3-10H,1-2H3
InChIKeyZAYUPCPPMRCMND-UHFFFAOYSA-N
MW373.33 g/mol
LogP4.44
Rot. Bonds2

About 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione

2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione (PubChem CID 143205880) has the molecular formula C19H14F3N3O2 and a molecular weight of 373.33 g/mol. Its IUPAC name is 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione
PubChem CID143205880
Molecular FormulaC19H14F3N3O2
Molecular Weight373.33 g/mol
Exact Mass373.10
IUPAC Name2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione
SMILESCC(C)n1c(C(F)(F)F)nc2cc(N3C(=O)c4ccccc4C3=O)ccc21
InChIInChI=1S/C19H14F3N3O2/c1-10(2)24-15-8-7-11(9-14(15)23-18(24)19(20,21)22)25-16(26)12-5-3-4-6-13(12)17(25)27/h3-10H,1-2H3
InChIKeyZAYUPCPPMRCMND-UHFFFAOYSA-N
XLogP4.44
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione?
The IUPAC name of 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione (CID 143205880) is 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione is CC(C)n1c(C(F)(F)F)nc2cc(N3C(=O)c4ccccc4C3=O)ccc21.
What is the InChIKey of 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione?
The InChIKey is ZAYUPCPPMRCMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O2/c1-10(2)24-15-8-7-11(9-14(15)23-18(24)19(20,21)22)25-16(26)12-5-3-4-6-13(12)17(25)27/h3-10H,1-2H3.
What are the key properties of 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione?
2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione has a molecular weight of 373.33 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]isoindole-1,3-dione is sourced from PubChem (CID 143205880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).