6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole

C18H13F4N5 — CID 118094644

IUPAC6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole
SMILESCc1nc2ccc(F)cc2n1C1=CN=CCN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H13F4N5/c1-11-25-14-4-2-12(19)8-15(14)27(11)17-10-23-6-7-26(17)13-3-5-16(24-9-13)18(20,21)22/h2-6,8-10H,7H2,1H3
InChIKeyJMZPEBZGTJBURW-UHFFFAOYSA-N
MW375.33 g/mol
LogP4.24
Rot. Bonds2

About 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole

6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole (PubChem CID 118094644) has the molecular formula C18H13F4N5 and a molecular weight of 375.33 g/mol. Its IUPAC name is 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole
PubChem CID118094644
Molecular FormulaC18H13F4N5
Molecular Weight375.33 g/mol
Exact Mass375.11
IUPAC Name6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole
SMILESCc1nc2ccc(F)cc2n1C1=CN=CCN1c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C18H13F4N5/c1-11-25-14-4-2-12(19)8-15(14)27(11)17-10-23-6-7-26(17)13-3-5-16(24-9-13)18(20,21)22/h2-6,8-10H,7H2,1H3
InChIKeyJMZPEBZGTJBURW-UHFFFAOYSA-N
XLogP4.24
TPSA46.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.33
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole?
The IUPAC name of 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole (CID 118094644) is 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole.
What is the SMILES notation for 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole?
The canonical SMILES for 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole is Cc1nc2ccc(F)cc2n1C1=CN=CCN1c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole?
The InChIKey is JMZPEBZGTJBURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N5/c1-11-25-14-4-2-12(19)8-15(14)27(11)17-10-23-6-7-26(17)13-3-5-16(24-9-13)18(20,21)22/h2-6,8-10H,7H2,1H3.
What are the key properties of 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole?
6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole has a molecular weight of 375.33 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-methyl-1-[1-[6-(trifluoromethyl)-3-pyridinyl]-2H-pyrazin-6-yl]benzimidazole is sourced from PubChem (CID 118094644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).