2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid

C20H16F3N5O3 — CID 11618867

IUPAC2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2nc(CC(=O)O)[nH]c2c1
InChIInChI=1S/C20H16F3N5O3/c1-11-17(27-28(26-11)13-4-2-12(3-5-13)20(21,22)23)10-31-14-6-7-15-16(8-14)25-18(24-15)9-19(29)30/h2-8H,9-10H2,1H3,(H,24,25)(H,29,30)
InChIKeyXQADSJRKXQLFRO-UHFFFAOYSA-N
MW431.37 g/mol
LogP3.68
Rot. Bonds6

About 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid

2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid (PubChem CID 11618867) has the molecular formula C20H16F3N5O3 and a molecular weight of 431.37 g/mol. Its IUPAC name is 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid.

Molecular Properties

Compound Name2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid
PubChem CID11618867
Molecular FormulaC20H16F3N5O3
Molecular Weight431.37 g/mol
Exact Mass431.12
IUPAC Name2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid
SMILESCc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2nc(CC(=O)O)[nH]c2c1
InChIInChI=1S/C20H16F3N5O3/c1-11-17(27-28(26-11)13-4-2-12(3-5-13)20(21,22)23)10-31-14-6-7-15-16(8-14)25-18(24-15)9-19(29)30/h2-8H,9-10H2,1H3,(H,24,25)(H,29,30)
InChIKeyXQADSJRKXQLFRO-UHFFFAOYSA-N
XLogP3.68
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.37
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid with MolForge

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Related Compounds

4-[6-[[2-(4-aminophenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazol-2-yl]aniline
CID 3098466
2-((6-methoxy-1H-benzo[d]imidazol-2-yl)methyl)-1H-benzo[d]imidazole-5-carboxamidine
CID 44407777
2-[3,5-diethyl-1-[[2-fluoro-4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 122198023
2-(4-methoxyphenyl)-6-[[2-(4-methoxyphenyl)-3H-benzimidazol-5-yl]oxy]-1H-benzimidazole
CID 71452934
2-Ethyl-2-[[6-[(1-methylpyrazol-3-yl)methoxy]-1-[[4-(trifluoromethoxy)phenyl]methyl]benzimidazol-2-yl]methyl]butanoic acid
CID 86269302
2-ethyl-2-((6-((1-methyl-1H-pyrazol-3-yl)methoxy)-1-(4-(4-(trifluoromethyl)piperidin-1-yl)benzyl)-1H-benzo[d]imidazol-2-yl)methyl)butanoic acid
CID 90410206
2-({1-[4-(3,3-Difluoropiperidin-1-yl)benzyl]-6-[(1-methyl-1H-pyrazol-3-yl)methoxy]-1H-benzimidazol-2-yl}methyl)-2-ethylbutanoic acid
CID 90410523
2-({1-[4-(3,3-Difluoropyrrolidin-1-yl)benzyl]-6-[(1-methyl-1H-pyrazol-3-yl)methoxy]-1H-benzimidazol-2-yl}methyl)-2-ethylbutanoic acid
CID 117607706
2-[3,5-diethyl-1-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]pyrazol-4-yl]acetic acid
CID 122197992
2-[1-[[4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 122198008
2-[1-[[2-fluoro-4-(6-methoxy-1H-benzimidazol-2-yl)phenyl]methyl]-3,5-dimethylpyrazol-4-yl]acetic acid
CID 122198040
5-[4-(6-methoxy-1H-benzimidazol-2-yl)anilino]-5-oxopentanoic acid
CID 118717485

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid?
The IUPAC name of 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid (CID 11618867) is 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid.
What is the SMILES notation for 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid?
The canonical SMILES for 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid is Cc1nn(-c2ccc(C(F)(F)F)cc2)nc1COc1ccc2nc(CC(=O)O)[nH]c2c1.
What is the InChIKey of 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid?
The InChIKey is XQADSJRKXQLFRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5O3/c1-11-17(27-28(26-11)13-4-2-12(3-5-13)20(21,22)23)10-31-14-6-7-15-16(8-14)25-18(24-15)9-19(29)30/h2-8H,9-10H2,1H3,(H,24,25)(H,29,30).
What are the key properties of 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid?
2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid has a molecular weight of 431.37 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[5-methyl-2-[4-(trifluoromethyl)phenyl]triazol-4-yl]methoxy]-1H-benzimidazol-2-yl]acetic acid is sourced from PubChem (CID 11618867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).