2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide

C20H13F4N5O2 — CID 70267007

IUPAC2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide
SMILESCc1cccc(F)c1C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(O)ccc32)cn1
InChIInChI=1S/C20H13F4N5O2/c1-10-3-2-4-12(21)17(10)18(31)28-15-8-26-16(9-25-15)29-14-6-5-11(30)7-13(14)27-19(29)20(22,23)24/h2-9,30H,1H3,(H,25,28,31)
InChIKeyJDZOBXSMANTPEB-UHFFFAOYSA-N
MW431.35 g/mol
LogP4.24
Rot. Bonds3

About 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide

2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide (PubChem CID 70267007) has the molecular formula C20H13F4N5O2 and a molecular weight of 431.35 g/mol. Its IUPAC name is 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide.

Molecular Properties

Compound Name2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide
PubChem CID70267007
Molecular FormulaC20H13F4N5O2
Molecular Weight431.35 g/mol
Exact Mass431.10
IUPAC Name2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide
SMILESCc1cccc(F)c1C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(O)ccc32)cn1
InChIInChI=1S/C20H13F4N5O2/c1-10-3-2-4-12(21)17(10)18(31)28-15-8-26-16(9-25-15)29-14-6-5-11(30)7-13(14)27-19(29)20(22,23)24/h2-9,30H,1H3,(H,25,28,31)
InChIKeyJDZOBXSMANTPEB-UHFFFAOYSA-N
XLogP4.24
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide?
The IUPAC name of 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide (CID 70267007) is 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide.
What is the SMILES notation for 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide?
The canonical SMILES for 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide is Cc1cccc(F)c1C(=O)Nc1cnc(-n2c(C(F)(F)F)nc3cc(O)ccc32)cn1.
What is the InChIKey of 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide?
The InChIKey is JDZOBXSMANTPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F4N5O2/c1-10-3-2-4-12(21)17(10)18(31)28-15-8-26-16(9-25-15)29-14-6-5-11(30)7-13(14)27-19(29)20(22,23)24/h2-9,30H,1H3,(H,25,28,31).
What are the key properties of 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide?
2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide has a molecular weight of 431.35 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[5-[5-hydroxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-6-methylbenzamide is sourced from PubChem (CID 70267007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).