2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole

C18H10ClF3N4 — CID 11588862

IUPAC2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4nccnc4Cl)cc3)[nH]c2c1
InChIInChI=1S/C18H10ClF3N4/c19-16-15(23-7-8-24-16)10-1-3-11(4-2-10)17-25-13-6-5-12(18(20,21)22)9-14(13)26-17/h1-9H,(H,25,26)
InChIKeyVVJPAPMVRAAQGY-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.36
Rot. Bonds2

About 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole

2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 11588862) has the molecular formula C18H10ClF3N4 and a molecular weight of 374.75 g/mol. Its IUPAC name is 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID11588862
Molecular FormulaC18H10ClF3N4
Molecular Weight374.75 g/mol
Exact Mass374.05
IUPAC Name2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4nccnc4Cl)cc3)[nH]c2c1
InChIInChI=1S/C18H10ClF3N4/c19-16-15(23-7-8-24-16)10-1-3-11(4-2-10)17-25-13-6-5-12(18(20,21)22)9-14(13)26-17/h1-9H,(H,25,26)
InChIKeyVVJPAPMVRAAQGY-UHFFFAOYSA-N
XLogP5.36
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.75
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-[4-[5-(bromomethyl)-3-chloro-2-pyridinyl]phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 25061702
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11553265
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
CID 137187151
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole (CID 11588862) is 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole is FC(F)(F)c1ccc2nc(-c3ccc(-c4nccnc4Cl)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is VVJPAPMVRAAQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N4/c19-16-15(23-7-8-24-16)10-1-3-11(4-2-10)17-25-13-6-5-12(18(20,21)22)9-14(13)26-17/h1-9H,(H,25,26).
What are the key properties of 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole?
2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 374.75 g/mol, XLogP of 5.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloropyrazin-2-yl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 11588862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).