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

C21H17FN4O2 — CID 118094822

IUPACmethyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cccc(-n3c(C)nc4ccc(F)cc43)n2)cc1
InChIInChI=1S/C21H17FN4O2/c1-13-23-17-11-8-15(22)12-18(17)26(13)20-5-3-4-19(25-20)24-16-9-6-14(7-10-16)21(27)28-2/h3-12H,1-2H3,(H,24,25)
InChIKeyAEUXCXHTTAFFDQ-UHFFFAOYSA-N
MW376.39 g/mol
LogP4.40
Rot. Bonds4

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

methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate (PubChem CID 118094822) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate
PubChem CID118094822
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC Namemethyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate
SMILESCOC(=O)c1ccc(Nc2cccc(-n3c(C)nc4ccc(F)cc43)n2)cc1
InChIInChI=1S/C21H17FN4O2/c1-13-23-17-11-8-15(22)12-18(17)26(13)20-5-3-4-19(25-20)24-16-9-6-14(7-10-16)21(27)28-2/h3-12H,1-2H3,(H,24,25)
InChIKeyAEUXCXHTTAFFDQ-UHFFFAOYSA-N
XLogP4.40
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoate
CID 118094621
4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzoic acid
CID 122555256
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(4-methylphenyl)pyrazin-2-amine
CID 118094365
methyl 3-[[6-(4-methoxycarbonylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112878840
6-(6-fluoro-2-methylbenzimidazol-1-yl)-N-(3-methylphenyl)pyrazin-2-amine
CID 118094337
methyl 4-(3-fluoroanilino)benzoate
CID 67974249
methyl 3-[[3-(4-fluoroanilino)-1,2,4-triazin-5-yl]amino]benzoate
CID 112965647
methyl 4-[[6-(2,6-dimethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877490
methyl 4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]benzoate
CID 112877116
methyl 4-[[6-(4-ethylanilino)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112877592
5-(6-fluoro-2-methylbenzimidazol-1-yl)-N-[4-(trifluoromethyl)phenyl]-1,2,4-triazin-3-amine
CID 118095538
methyl 4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]benzoate
CID 112931655

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate (CID 118094822) is methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate is COC(=O)c1ccc(Nc2cccc(-n3c(C)nc4ccc(F)cc43)n2)cc1.
What is the InChIKey of methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate?
The InChIKey is AEUXCXHTTAFFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O2/c1-13-23-17-11-8-15(22)12-18(17)26(13)20-5-3-4-19(25-20)24-16-9-6-14(7-10-16)21(27)28-2/h3-12H,1-2H3,(H,24,25).
What are the key properties of methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate?
methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate has a molecular weight of 376.39 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-pyridinyl]amino]benzoate is sourced from PubChem (CID 118094822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).