1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole

C18H9Cl2F3N4 — CID 141326992

IUPAC1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4ncccc4Cl)cn3)n(Cl)c2c1
InChIInChI=1S/C18H9Cl2F3N4/c19-12-2-1-7-24-16(12)10-3-5-14(25-9-10)17-26-13-6-4-11(18(21,22)23)8-15(13)27(17)20/h1-9H
InChIKeyGXCPDNPMFXDIBD-UHFFFAOYSA-N
MW409.20 g/mol
LogP5.83
Rot. Bonds2

About 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole

1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole (PubChem CID 141326992) has the molecular formula C18H9Cl2F3N4 and a molecular weight of 409.20 g/mol. Its IUPAC name is 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole
PubChem CID141326992
Molecular FormulaC18H9Cl2F3N4
Molecular Weight409.20 g/mol
Exact Mass408.02
IUPAC Name1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1ccc2nc(-c3ccc(-c4ncccc4Cl)cn3)n(Cl)c2c1
InChIInChI=1S/C18H9Cl2F3N4/c19-12-2-1-7-24-16(12)10-3-5-14(25-9-10)17-26-13-6-4-11(18(21,22)23)8-15(13)27(17)20/h1-9H
InChIKeyGXCPDNPMFXDIBD-UHFFFAOYSA-N
XLogP5.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.20
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11553265
2-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
CID 143269353
2-(3-chloro-2-pyridinyl)-6-(trifluoromethyl)-[1,3]thiazolo[5,4-b]pyridine
CID 71246799
6-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]quinoline
CID 102716462
2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
CID 143269327
4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 143269331
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428
1-methyl-2-pyridin-4-yl-6-(trifluoromethyl)benzimidazole
CID 66614356
6-(trifluoromethyl)benzotriazol-1-amine
CID 123807461
2-chloro-1-methyl-6-(trifluoromethyl)benzimidazole
CID 156865270
7-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethyl)phenyl]pyrazino[2,3-c]pyridazin-4-amine
CID 58945600
2-chloro-5-[1-dodecyl-6-(trifluoromethyl)benzimidazol-2-yl]aniline
CID 23460571

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole (CID 141326992) is 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole is FC(F)(F)c1ccc2nc(-c3ccc(-c4ncccc4Cl)cn3)n(Cl)c2c1.
What is the InChIKey of 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole?
The InChIKey is GXCPDNPMFXDIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9Cl2F3N4/c19-12-2-1-7-24-16(12)10-3-5-14(25-9-10)17-26-13-6-4-11(18(21,22)23)8-15(13)27(17)20/h1-9H.
What are the key properties of 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole?
1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole has a molecular weight of 409.20 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 141326992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).