2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide

C21H13F4N3O2 — CID 10136568

IUPAC2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4cc(C(F)(F)F)ccc4F)cc3)[nH]c2c1
InChIInChI=1S/C21H13F4N3O2/c22-15-7-4-13(21(23,24)25)10-18(15)30-14-5-1-11(2-6-14)20-27-16-8-3-12(19(26)29)9-17(16)28-20/h1-10H,(H2,26,29)(H,27,28)
InChIKeyRXUCRBVRFILDIS-UHFFFAOYSA-N
MW415.35 g/mol
LogP5.28
Rot. Bonds4

About 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide

2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide (PubChem CID 10136568) has the molecular formula C21H13F4N3O2 and a molecular weight of 415.35 g/mol. Its IUPAC name is 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
PubChem CID10136568
Molecular FormulaC21H13F4N3O2
Molecular Weight415.35 g/mol
Exact Mass415.09
IUPAC Name2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide
SMILESNC(=O)c1ccc2nc(-c3ccc(Oc4cc(C(F)(F)F)ccc4F)cc3)[nH]c2c1
InChIInChI=1S/C21H13F4N3O2/c22-15-7-4-13(21(23,24)25)10-18(15)30-14-5-1-11(2-6-14)20-27-16-8-3-12(19(26)29)9-17(16)28-20/h1-10H,(H2,26,29)(H,27,28)
InChIKeyRXUCRBVRFILDIS-UHFFFAOYSA-N
XLogP5.28
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.35
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide (CID 10136568) is 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide is NC(=O)c1ccc2nc(-c3ccc(Oc4cc(C(F)(F)F)ccc4F)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is RXUCRBVRFILDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F4N3O2/c22-15-7-4-13(21(23,24)25)10-18(15)30-14-5-1-11(2-6-14)20-27-16-8-3-12(19(26)29)9-17(16)28-20/h1-10H,(H2,26,29)(H,27,28).
What are the key properties of 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide?
2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 415.35 g/mol, XLogP of 5.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-fluoro-5-(trifluoromethyl)phenoxy]phenyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 10136568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).