(2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid

C19H15Cl2F3N2O3 — CID 150184646

IUPAC(2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
SMILESCc1nc2ccc(C(F)(F)F)cc2n1Cc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2F3N2O3/c1-9(18(27)28)29-17-5-11(13(20)7-14(17)21)8-26-10(2)25-15-4-3-12(6-16(15)26)19(22,23)24/h3-7,9H,8H2,1-2H3,(H,27,28)/t9-/m0/s1
InChIKeyFMDOEQOXBLGDKJ-VIFPVBQESA-N
MW447.24 g/mol
LogP5.57
Rot. Bonds5

About (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid

(2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid (PubChem CID 150184646) has the molecular formula C19H15Cl2F3N2O3 and a molecular weight of 447.24 g/mol. Its IUPAC name is (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
PubChem CID150184646
Molecular FormulaC19H15Cl2F3N2O3
Molecular Weight447.24 g/mol
Exact Mass446.04
IUPAC Name(2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
SMILESCc1nc2ccc(C(F)(F)F)cc2n1Cc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl
InChIInChI=1S/C19H15Cl2F3N2O3/c1-9(18(27)28)29-17-5-11(13(20)7-14(17)21)8-26-10(2)25-15-4-3-12(6-16(15)26)19(22,23)24/h3-7,9H,8H2,1-2H3,(H,27,28)/t9-/m0/s1
InChIKeyFMDOEQOXBLGDKJ-VIFPVBQESA-N
XLogP5.57
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.24
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid 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

2-[4-chloro-3-[[3-(4-methoxyphenoxy)-2-methyl-6-(trifluoromethyl)indol-1-yl]methyl]phenoxy]propanoic acid
CID 18438929
2-[1-[2-chloro-4-(trifluoromethyl)phenoxy]naphthalen-2-yl]oxypropanoic acid
CID 68773985
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide
CID 18467618
3-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-N-pent-1-enylsulfonylbenzimidazole-5-carboxamide
CID 57126027
(2R)-2-[2-chloro-5-[[3-(5-methyl-1,2-benzoxazol-3-yl)-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
CID 56925994
(2R)-2-[2-chloro-5-[[3-(4-chlorobenzoyl)-2-oxo-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid
CID 56925892
(2R)-2-(2,4,5-trichlorophenoxy)propanoic acid
CID 688652
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131
2-[2-fluoro-5-(trifluoromethyl)phenoxy]propanoic acid
CID 152752658
ethyl 3-[(2-chloro-4-methoxycarbonylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 18467652
ethyl 3-[(2-chloro-4-ethylphenyl)methyl]-2-methylbenzimidazole-5-carboxylate
CID 22508820
1-benzyl-2-methyl-5-(trifluoromethyl)benzimidazole
CID 757530

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid?
The IUPAC name of (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid (CID 150184646) is (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid.
What is the SMILES notation for (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid?
The canonical SMILES for (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid is Cc1nc2ccc(C(F)(F)F)cc2n1Cc1cc(O[C@@H](C)C(=O)O)c(Cl)cc1Cl.
What is the InChIKey of (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid?
The InChIKey is FMDOEQOXBLGDKJ-VIFPVBQESA-N. The full InChI is InChI=1S/C19H15Cl2F3N2O3/c1-9(18(27)28)29-17-5-11(13(20)7-14(17)21)8-26-10(2)25-15-4-3-12(6-16(15)26)19(22,23)24/h3-7,9H,8H2,1-2H3,(H,27,28)/t9-/m0/s1.
What are the key properties of (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid?
(2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid has a molecular weight of 447.24 g/mol, XLogP of 5.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2,4-dichloro-5-[[2-methyl-6-(trifluoromethyl)benzimidazol-1-yl]methyl]phenoxy]propanoic acid is sourced from PubChem (CID 150184646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).