2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole

C20H16F3N5O — CID 118095555

IUPAC2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole
SMILESFC(F)(F)Oc1ccc(N2CN=CN=C2n2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)29-15-9-7-14(8-10-15)27-12-24-11-25-19(27)28-17-4-2-1-3-16(17)26-18(28)13-5-6-13/h1-4,7-11,13H,5-6,12H2
InChIKeyPFWKFMUNIZKWHU-UHFFFAOYSA-N
MW399.38 g/mol
LogP4.52
Rot. Bonds3

About 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole

2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole (PubChem CID 118095555) has the molecular formula C20H16F3N5O and a molecular weight of 399.38 g/mol. Its IUPAC name is 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole.

Molecular Properties

Compound Name2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole
PubChem CID118095555
Molecular FormulaC20H16F3N5O
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC Name2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole
SMILESFC(F)(F)Oc1ccc(N2CN=CN=C2n2c(C3CC3)nc3ccccc32)cc1
InChIInChI=1S/C20H16F3N5O/c21-20(22,23)29-15-9-7-14(8-10-15)27-12-24-11-25-19(27)28-17-4-2-1-3-16(17)26-18(28)13-5-6-13/h1-4,7-11,13H,5-6,12H2
InChIKeyPFWKFMUNIZKWHU-UHFFFAOYSA-N
XLogP4.52
TPSA55.01 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole?
The IUPAC name of 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole (CID 118095555) is 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole.
What is the SMILES notation for 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole?
The canonical SMILES for 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole is FC(F)(F)Oc1ccc(N2CN=CN=C2n2c(C3CC3)nc3ccccc32)cc1.
What is the InChIKey of 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole?
The InChIKey is PFWKFMUNIZKWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O/c21-20(22,23)29-15-9-7-14(8-10-15)27-12-24-11-25-19(27)28-17-4-2-1-3-16(17)26-18(28)13-5-6-13/h1-4,7-11,13H,5-6,12H2.
What are the key properties of 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole?
2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole has a molecular weight of 399.38 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-[3-[4-(trifluoromethoxy)phenyl]-2H-1,3,5-triazin-4-yl]benzimidazole is sourced from PubChem (CID 118095555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).