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

C20H12ClF4N3 — CID 143269327

IUPAC2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1cc(C(F)(F)F)cc2[nH]c(-c3ccc(-c4ncccc4Cl)cc3F)nc12
InChIInChI=1S/C20H12ClF4N3/c1-10-7-12(20(23,24)25)9-16-17(10)28-19(27-16)13-5-4-11(8-15(13)22)18-14(21)3-2-6-26-18/h2-9H,1H3,(H,27,28)
InChIKeyVSYXNHAYLWRIMK-UHFFFAOYSA-N
MW405.78 g/mol
LogP6.41
Rot. Bonds2

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

2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole (PubChem CID 143269327) has the molecular formula C20H12ClF4N3 and a molecular weight of 405.78 g/mol. Its IUPAC name is 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
PubChem CID143269327
Molecular FormulaC20H12ClF4N3
Molecular Weight405.78 g/mol
Exact Mass405.07
IUPAC Name2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole
SMILESCc1cc(C(F)(F)F)cc2[nH]c(-c3ccc(-c4ncccc4Cl)cc3F)nc12
InChIInChI=1S/C20H12ClF4N3/c1-10-7-12(20(23,24)25)9-16-17(10)28-19(27-16)13-5-4-11(8-15(13)22)18-14(21)3-2-6-26-18/h2-9H,1H3,(H,27,28)
InChIKeyVSYXNHAYLWRIMK-UHFFFAOYSA-N
XLogP6.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.78
LogP ≤ 56.41
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-[2-chloro-4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazole
CID 11553265
2-(2-chloro-3-pyridinyl)-4-fluoro-6-(trifluoromethyl)-1H-benzimidazole
CID 167512481
4-[2-[4-(3-chloro-2-pyridinyl)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-4-yl]morpholine
CID 11547078
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-fluorophenyl]-6-methoxy-1H-benzimidazole
CID 11596972
4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 143269331
2-(4,6-dimethyl-1H-benzimidazol-2-yl)pyridin-3-amine
CID 104740767
4-chloro-2-(4-piperidin-1-ylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 130237641
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
CID 113428441
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445
CID 91599633
CID 91599633
3-chloro-2-(3,4-dichlorophenyl)pyridine
CID 133088428

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole?
The IUPAC name of 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole (CID 143269327) is 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole.
What is the SMILES notation for 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole?
The canonical SMILES for 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole is Cc1cc(C(F)(F)F)cc2[nH]c(-c3ccc(-c4ncccc4Cl)cc3F)nc12.
What is the InChIKey of 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole?
The InChIKey is VSYXNHAYLWRIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N3/c1-10-7-12(20(23,24)25)9-16-17(10)28-19(27-16)13-5-4-11(8-15(13)22)18-14(21)3-2-6-26-18/h2-9H,1H3,(H,27,28).
What are the key properties of 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole?
2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole has a molecular weight of 405.78 g/mol, XLogP of 6.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chloro-2-pyridinyl)-2-fluorophenyl]-4-methyl-6-(trifluoromethyl)-1H-benzimidazole is sourced from PubChem (CID 143269327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).