4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide

C20H12ClF4N5O2 — CID 24751931

IUPAC4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C20H12ClF4N5O2/c1-32-11-3-5-15-14(7-11)28-19(20(23,24)25)30(15)17-9-26-16(8-27-17)29-18(31)12-4-2-10(21)6-13(12)22/h2-9H,1H3,(H,26,29,31)
InChIKeyGKZMHPUVZXYQCO-UHFFFAOYSA-N
MW465.79 g/mol
LogP4.89
Rot. Bonds4

About 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide

4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (PubChem CID 24751931) has the molecular formula C20H12ClF4N5O2 and a molecular weight of 465.79 g/mol. Its IUPAC name is 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
PubChem CID24751931
Molecular FormulaC20H12ClF4N5O2
Molecular Weight465.79 g/mol
Exact Mass465.06
IUPAC Name4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide
SMILESCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C20H12ClF4N5O2/c1-32-11-3-5-15-14(7-11)28-19(20(23,24)25)30(15)17-9-26-16(8-27-17)29-18(31)12-4-2-10(21)6-13(12)22/h2-9H,1H3,(H,26,29,31)
InChIKeyGKZMHPUVZXYQCO-UHFFFAOYSA-N
XLogP4.89
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.79
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The IUPAC name of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide (CID 24751931) is 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide.
What is the SMILES notation for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The canonical SMILES for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
The InChIKey is GKZMHPUVZXYQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClF4N5O2/c1-32-11-3-5-15-14(7-11)28-19(20(23,24)25)30(15)17-9-26-16(8-27-17)29-18(31)12-4-2-10(21)6-13(12)22/h2-9H,1H3,(H,26,29,31).
What are the key properties of 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide?
4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide has a molecular weight of 465.79 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-fluoro-N-[5-[5-methoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]benzamide is sourced from PubChem (CID 24751931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).