4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide

C21H14ClF4N5O2 — CID 24751088

IUPAC4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C21H14ClF4N5O2/c1-2-33-12-4-6-16-15(8-12)29-20(21(24,25)26)31(16)18-10-27-17(9-28-18)30-19(32)13-5-3-11(22)7-14(13)23/h3-10H,2H2,1H3,(H,27,30,32)
InChIKeyMRVVCMJSHSWYOG-UHFFFAOYSA-N
MW479.82 g/mol
LogP5.28
Rot. Bonds5

About 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide

4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide (PubChem CID 24751088) has the molecular formula C21H14ClF4N5O2 and a molecular weight of 479.82 g/mol. Its IUPAC name is 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide
PubChem CID24751088
Molecular FormulaC21H14ClF4N5O2
Molecular Weight479.82 g/mol
Exact Mass479.08
IUPAC Name4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide
SMILESCCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(Cl)cc2F)cn1
InChIInChI=1S/C21H14ClF4N5O2/c1-2-33-12-4-6-16-15(8-12)29-20(21(24,25)26)31(16)18-10-27-17(9-28-18)30-19(32)13-5-3-11(22)7-14(13)23/h3-10H,2H2,1H3,(H,27,30,32)
InChIKeyMRVVCMJSHSWYOG-UHFFFAOYSA-N
XLogP5.28
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.82
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide?
The IUPAC name of 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide (CID 24751088) is 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide?
The canonical SMILES for 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide is CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(Cl)cc2F)cn1.
What is the InChIKey of 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide?
The InChIKey is MRVVCMJSHSWYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClF4N5O2/c1-2-33-12-4-6-16-15(8-12)29-20(21(24,25)26)31(16)18-10-27-17(9-28-18)30-19(32)13-5-3-11(22)7-14(13)23/h3-10H,2H2,1H3,(H,27,30,32).
What are the key properties of 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide?
4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide has a molecular weight of 479.82 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-[5-ethoxy-2-(trifluoromethyl)benzimidazol-1-yl]pyrazin-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 24751088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).