methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate

C20H16FN5O2 — CID 118094621

IUPACmethyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccc(F)cc43)n2)cc1
InChIInChI=1S/C20H16FN5O2/c1-12-23-16-8-5-14(21)9-17(16)26(12)19-11-22-10-18(25-19)24-15-6-3-13(4-7-15)20(27)28-2/h3-11H,1-2H3,(H,24,25)
InChIKeyALZHXGROWBKISR-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.79
Rot. Bonds4

About methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate

methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate (PubChem CID 118094621) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
PubChem CID118094621
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Namemethyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccc(F)cc43)n2)cc1
InChIInChI=1S/C20H16FN5O2/c1-12-23-16-8-5-14(21)9-17(16)26(12)19-11-22-10-18(25-19)24-15-6-3-13(4-7-15)20(27)28-2/h3-11H,1-2H3,(H,24,25)
InChIKeyALZHXGROWBKISR-UHFFFAOYSA-N
XLogP3.79
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid
CID 122555256
methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate
CID 118094822
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 118094365
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)pyrazin-2-amine
CID 118094337
6-(6-methoxy-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095066
6-(2-ethyl-6-fluorobenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118095108
6-(5,6-difluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 73427235
4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide
CID 146432635
6-(5-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;6-(6-chloro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine
CID 118094765
N-[4-(difluoromethyl)-3-fluorophenyl]-6-(2-methylbenzimidazol-1-yl)pyrazin-2-amine
CID 118101485
5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 118095538
methyl 3-[[3-(4-fluoroanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112965647

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate (CID 118094621) is methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate is COC(=O)c1ccc(Nc2cncc(-n3c(C)nc4ccc(F)cc43)n2)cc1.
What is the InChIKey of methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate?
The InChIKey is ALZHXGROWBKISR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-12-23-16-8-5-14(21)9-17(16)26(12)19-11-22-10-18(25-19)24-15-6-3-13(4-7-15)20(27)28-2/h3-11H,1-2H3,(H,24,25).
What are the key properties of methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate?
methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate has a molecular weight of 377.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate is sourced from PubChem (CID 118094621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).