2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole

C19H10Cl2F3N3 — CID 11553265

IUPAC2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4ncccc4Cl)cc3Cl)[nH]c2c1
InChIInChI=1S/C19H10Cl2F3N3/c20-13-2-1-7-25-17(13)10-3-5-12(14(21)8-10)18-26-15-6-4-11(19(22,23)24)9-16(15)27-18/h1-9H,(H,26,27)
InChIKeyHNLUESGAAZKMOF-UHFFFAOYSA-N
MW408.21 g/mol
LogP6.62
Rot. Bonds2

About 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole

2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 11553265) has the molecular formula C19H10Cl2F3N3 and a molecular weight of 408.21 g/mol. Its IUPAC name is 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID11553265
Molecular FormulaC19H10Cl2F3N3
Molecular Weight408.21 g/mol
Exact Mass407.02
IUPAC Name2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4ncccc4Cl)cc3Cl)[nH]c2c1
InChIInChI=1S/C19H10Cl2F3N3/c20-13-2-1-7-25-17(13)10-3-5-12(14(21)8-10)18-26-15-6-4-11(19(22,23)24)9-16(15)27-18/h1-9H,(H,26,27)
InChIKeyHNLUESGAAZKMOF-UHFFFAOYSA-N
XLogP6.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.21
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
CID 143269353
2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
CID 143269327
2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11588862
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
[4-[3,5-dichloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 162662664
2-[4-[5-(bromomethyl)-3-chloro-2-pyridinyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 25061702
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-(2,5-dichlorothiophen-3-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 107963358
2-[4-[4-[3-chloro-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]cyclohexyl]acetic acid
CID 56959652
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-methoxy-1H-benzimidazole
CID 11596972

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole (CID 11553265) is 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3ccc(-c4ncccc4Cl)cc3Cl)[nH]c2c1.
What is the InChIKey of 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is HNLUESGAAZKMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10Cl2F3N3/c20-13-2-1-7-25-17(13)10-3-5-12(14(21)8-10)18-26-15-6-4-11(19(22,23)24)9-16(15)27-18/h1-9H,(H,26,27).
What are the key properties of 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 408.21 g/mol, XLogP of 6.62, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 11553265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).