4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine

C14H14F2N6O — CID 162544095

IUPAC4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C14H14F2N6O/c15-11(16)12-17-9-3-1-2-4-10(9)22(12)14-18-13(19-20-14)21-5-7-23-8-6-21/h1-4,11H,5-8H2,(H,18,19,20)
InChIKeySISVKBIGJKYRDJ-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.92
Rot. Bonds3

About 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine

4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine (PubChem CID 162544095) has the molecular formula C14H14F2N6O and a molecular weight of 320.30 g/mol. Its IUPAC name is 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine.

Molecular Properties

Compound Name4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine
PubChem CID162544095
Molecular FormulaC14H14F2N6O
Molecular Weight320.30 g/mol
Exact Mass320.12
IUPAC Name4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine
SMILESFC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)n[nH]1
InChIInChI=1S/C14H14F2N6O/c15-11(16)12-17-9-3-1-2-4-10(9)22(12)14-18-13(19-20-14)21-5-7-23-8-6-21/h1-4,11H,5-8H2,(H,18,19,20)
InChIKeySISVKBIGJKYRDJ-UHFFFAOYSA-N
XLogP1.92
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine?
The IUPAC name of 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine (CID 162544095) is 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine.
What is the SMILES notation for 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine?
The canonical SMILES for 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine is FC(F)c1nc2ccccc2n1-c1nc(N2CCOCC2)n[nH]1.
What is the InChIKey of 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine?
The InChIKey is SISVKBIGJKYRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6O/c15-11(16)12-17-9-3-1-2-4-10(9)22(12)14-18-13(19-20-14)21-5-7-23-8-6-21/h1-4,11H,5-8H2,(H,18,19,20).
What are the key properties of 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine?
4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine has a molecular weight of 320.30 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(difluoromethyl)benzimidazol-1-yl]-1H-1,2,4-triazol-3-yl]morpholine is sourced from PubChem (CID 162544095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).