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

C18H10ClF3N4 — CID 91014542

IUPAC6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1c(-c2nc3ccc(Cl)cc3[nH]2)ccnc1-c1cccnc1
InChIInChI=1S/C18H10ClF3N4/c19-11-3-4-13-14(8-11)26-17(25-13)12-5-7-24-16(15(12)18(20,21)22)10-2-1-6-23-9-10/h1-9H,(H,25,26)
InChIKeyVGQJJJRAGCKGML-UHFFFAOYSA-N
MW374.75 g/mol
LogP5.36
Rot. Bonds2

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

6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole (PubChem CID 91014542) has the molecular formula C18H10ClF3N4 and a molecular weight of 374.75 g/mol. Its IUPAC name is 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
PubChem CID91014542
Molecular FormulaC18H10ClF3N4
Molecular Weight374.75 g/mol
Exact Mass374.05
IUPAC Name6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole
SMILESFC(F)(F)c1c(-c2nc3ccc(Cl)cc3[nH]2)ccnc1-c1cccnc1
InChIInChI=1S/C18H10ClF3N4/c19-11-3-4-13-14(8-11)26-17(25-13)12-5-7-24-16(15(12)18(20,21)22)10-2-1-6-23-9-10/h1-9H,(H,25,26)
InChIKeyVGQJJJRAGCKGML-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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole?
The IUPAC name of 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole (CID 91014542) is 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole is FC(F)(F)c1c(-c2nc3ccc(Cl)cc3[nH]2)ccnc1-c1cccnc1.
What is the InChIKey of 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole?
The InChIKey is VGQJJJRAGCKGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10ClF3N4/c19-11-3-4-13-14(8-11)26-17(25-13)12-5-7-24-16(15(12)18(20,21)22)10-2-1-6-23-9-10/h1-9H,(H,25,26).
What are the key properties of 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole?
6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-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 6-chloro-2-[2-pyridin-3-yl-3-(trifluoromethyl)-4-pyridinyl]-1H-benzimidazole is sourced from PubChem (CID 91014542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).