3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one

C16H10F6N2O2 — CID 19001543

IUPAC3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCOc1ccc(C(F)(F)F)cc1-n1c(=O)[nH]c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H10F6N2O2/c1-26-13-5-3-9(16(20,21)22)7-12(13)24-11-4-2-8(15(17,18)19)6-10(11)23-14(24)25/h2-7H,1H3,(H,23,25)
InChIKeyMKVXMIULTOWONJ-UHFFFAOYSA-N
MW376.26 g/mol
LogP4.36
Rot. Bonds2

About 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 19001543) has the molecular formula C16H10F6N2O2 and a molecular weight of 376.26 g/mol. Its IUPAC name is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID19001543
Molecular FormulaC16H10F6N2O2
Molecular Weight376.26 g/mol
Exact Mass376.06
IUPAC Name3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCOc1ccc(C(F)(F)F)cc1-n1c(=O)[nH]c2cc(C(F)(F)F)ccc21
InChIInChI=1S/C16H10F6N2O2/c1-26-13-5-3-9(16(20,21)22)7-12(13)24-11-4-2-8(15(17,18)19)6-10(11)23-14(24)25/h2-7H,1H3,(H,23,25)
InChIKeyMKVXMIULTOWONJ-UHFFFAOYSA-N
XLogP4.36
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.26
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 19001543) is 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one is COc1ccc(C(F)(F)F)cc1-n1c(=O)[nH]c2cc(C(F)(F)F)ccc21.
What is the InChIKey of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is MKVXMIULTOWONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O2/c1-26-13-5-3-9(16(20,21)22)7-12(13)24-11-4-2-8(15(17,18)19)6-10(11)23-14(24)25/h2-7H,1H3,(H,23,25).
What are the key properties of 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 376.26 g/mol, XLogP of 4.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 19001543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).