2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole

C20H12Cl2F3N3O — CID 178074159

IUPAC2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C20H12Cl2F3N3O/c1-29-17-8-12(13(9-26-17)11-3-2-4-14(21)18(11)22)19-27-15-6-5-10(20(23,24)25)7-16(15)28-19/h2-9H,1H3,(H,27,28)
InChIKeyAHODVVVNOKRLMG-UHFFFAOYSA-N
MW438.24 g/mol
LogP6.63
Rot. Bonds3

About 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole

2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 178074159) has the molecular formula C20H12Cl2F3N3O and a molecular weight of 438.24 g/mol. Its IUPAC name is 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID178074159
Molecular FormulaC20H12Cl2F3N3O
Molecular Weight438.24 g/mol
Exact Mass437.03
IUPAC Name2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESCOc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(-c2cccc(Cl)c2Cl)cn1
InChIInChI=1S/C20H12Cl2F3N3O/c1-29-17-8-12(13(9-26-17)11-3-2-4-14(21)18(11)22)19-27-15-6-5-10(20(23,24)25)7-16(15)28-19/h2-9H,1H3,(H,27,28)
InChIKeyAHODVVVNOKRLMG-UHFFFAOYSA-N
XLogP6.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.24
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11553265
5-methoxy-2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 46886471
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxylic acid
CID 43349288
2-(2,3-dichlorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908144
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-methoxy-1H-benzimidazole
CID 11596972
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-[2-(2,3-dichlorophenyl)phenyl]-1H-benzimidazole
CID 134336861
2-chloro-6-(6-methoxy-1H-benzimidazol-2-yl)aniline
CID 107049937
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole (CID 178074159) is 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole is COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)c(-c2cccc(Cl)c2Cl)cn1.
What is the InChIKey of 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is AHODVVVNOKRLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F3N3O/c1-29-17-8-12(13(9-26-17)11-3-2-4-14(21)18(11)22)19-27-15-6-5-10(20(23,24)25)7-16(15)28-19/h2-9H,1H3,(H,27,28).
What are the key properties of 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 438.24 g/mol, XLogP of 6.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,3-dichlorophenyl)-2-methoxy-4-pyridinyl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 178074159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).