3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

C20H13F3N2O3 — CID 69441713

IUPAC3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(-c2ccccc2)c(O)cc1O
InChIInChI=1S/C20H13F3N2O3/c21-20(22,23)12-6-7-15-14(8-12)24-19(28)25(15)16-9-13(17(26)10-18(16)27)11-4-2-1-3-5-11/h1-10,26-27H,(H,24,28)
InChIKeyFUKJFWXYWRZSNF-UHFFFAOYSA-N
MW386.33 g/mol
LogP4.42
Rot. Bonds2

About 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one

3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 69441713) has the molecular formula C20H13F3N2O3 and a molecular weight of 386.33 g/mol. Its IUPAC name is 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID69441713
Molecular FormulaC20H13F3N2O3
Molecular Weight386.33 g/mol
Exact Mass386.09
IUPAC Name3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(-c2ccccc2)c(O)cc1O
InChIInChI=1S/C20H13F3N2O3/c21-20(22,23)12-6-7-15-14(8-12)24-19(28)25(15)16-9-13(17(26)10-18(16)27)11-4-2-1-3-5-11/h1-10,26-27H,(H,24,28)
InChIKeyFUKJFWXYWRZSNF-UHFFFAOYSA-N
XLogP4.42
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.33
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2,4-dihydroxy-5-[3-(trifluoromethyl)phenyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 87835766
3-[5-(3-fluoro-4-phenylphenyl)-2,4-dihydroxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 69441752
3-[5-(3-chloro-4-methylphenyl)-2,4-dihydroxyphenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 69444285
3-benzyl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 2545714
3-[5-(3,4-dichlorophenyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
CID 69442217
3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207571
2,4-dihydroxy-5-(2-oxo-3H-benzimidazol-1-yl)benzonitrile
CID 69445541
3-propan-2-yl-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 4555935
3-(2-hydroxyphenyl)-4-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117209194
3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117208195
3-[5-(3,3-dimethylbut-1-enyl)-2,4-dihydroxyphenyl]-1H-benzimidazol-2-one
CID 69444922
3-(2-phenylethyl)-6-[3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-one
CID 134084698

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one (CID 69441713) is 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2cc(C(F)(F)F)ccc2n1-c1cc(-c2ccccc2)c(O)cc1O.
What is the InChIKey of 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is FUKJFWXYWRZSNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O3/c21-20(22,23)12-6-7-15-14(8-12)24-19(28)25(15)16-9-13(17(26)10-18(16)27)11-4-2-1-3-5-11/h1-10,26-27H,(H,24,28).
What are the key properties of 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one?
3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 386.33 g/mol, XLogP of 4.42, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dihydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 69441713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).