3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

C15H11F3N2O2 — CID 117207571

IUPAC3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCOc1cccc(-n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C15H11F3N2O2/c1-22-11-4-2-3-10(8-11)20-13-6-5-9(15(16,17)18)7-12(13)19-14(20)21/h2-8H,1H3,(H,19,21)
InChIKeyUUORJKBMSWGHJH-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.35
Rot. Bonds2

About 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 117207571) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID117207571
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESCOc1cccc(-n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C15H11F3N2O2/c1-22-11-4-2-3-10(8-11)20-13-6-5-9(15(16,17)18)7-12(13)19-14(20)21/h2-8H,1H3,(H,19,21)
InChIKeyUUORJKBMSWGHJH-UHFFFAOYSA-N
XLogP3.35
TPSA47.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
6-methoxy-1-phenylquinazoline-2,4-dione
CID 177394173
3-[2,4-dihydroxy-5-[3-(trifluoromethyl)phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 87835766
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 69441713
6-iodo-3-(3-methoxyphenyl)-1H-benzimidazole-2-thione
CID 66064722
7-chloro-3-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 117206797
3-(3-bromophenyl)-6-methyl-1H-benzimidazol-2-one
CID 117207577
3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 2545714
3-pyridin-3-yl-6-(trifluoromethyl)-1H-quinazoline-2,4-dione
CID 117261306
5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 4907666
3-(2-methoxy-4-pyridinyl)-1H-benzimidazol-2-one
CID 146172820

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 117207571) is 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is COc1cccc(-n2c(=O)[nH]c3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is UUORJKBMSWGHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-22-11-4-2-3-10(8-11)20-13-6-5-9(15(16,17)18)7-12(13)19-14(20)21/h2-8H,1H3,(H,19,21).
What are the key properties of 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 308.26 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117207571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).