1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

C24H23FN4O2 — CID 163563694

IUPAC1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3c(nc(Nc4ccc(C)cc4F)n3C)c2C)ccn1
InChIInChI=1S/C24H23FN4O2/c1-14-5-6-20(19(25)11-14)27-24-28-23-16(3)22(8-7-21(23)29(24)4)31-18-9-10-26-17(13-18)12-15(2)30/h5-11,13H,12H2,1-4H3,(H,27,28)
InChIKeyFTKLZIRCVWTLDU-UHFFFAOYSA-N
MW418.47 g/mol
LogP5.39
Rot. Bonds6

About 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one

1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (PubChem CID 163563694) has the molecular formula C24H23FN4O2 and a molecular weight of 418.47 g/mol. Its IUPAC name is 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
PubChem CID163563694
Molecular FormulaC24H23FN4O2
Molecular Weight418.47 g/mol
Exact Mass418.18
IUPAC Name1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
SMILESCC(=O)Cc1cc(Oc2ccc3c(nc(Nc4ccc(C)cc4F)n3C)c2C)ccn1
InChIInChI=1S/C24H23FN4O2/c1-14-5-6-20(19(25)11-14)27-24-28-23-16(3)22(8-7-21(23)29(24)4)31-18-9-10-26-17(13-18)12-15(2)30/h5-11,13H,12H2,1-4H3,(H,27,28)
InChIKeyFTKLZIRCVWTLDU-UHFFFAOYSA-N
XLogP5.39
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one with MolForge

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Related Compounds

1-[4-[2-(3,5-dimethylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158627942
1-[ethyl(propyl)amino]-3-[4-[2-(2-fluoro-5-methylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160688053
1-[4-[1-methyl-2-[(4-methylphenyl)methylamino]benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 160770747
1-[4-[2-[(3-tert-butyl-1-methylpyrazol-5-yl)amino]-3-methylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 167545220
1-[4-[1-methyl-2-(3-methyl-4-propan-2-ylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 158851241
1-methoxy-3-[4-[1-methyl-2-(4-methylanilino)benzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one
CID 161256236
1-[4-[2-(2,4-difluoro-5-propan-2-ylanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]-3-(4-methylpiperidin-1-yl)propan-2-one
CID 159619336
1-(1,4-dioxan-2-ylmethyl)-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-5-(trifluoromethyl)pyridin-2-one
CID 167541040
5-cyclopropyl-1-[[(2S)-2-hydroxycyclobutyl]methyl]-3-[[1-methyl-6-[[2-(2-oxopropyl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]pyridin-2-one
CID 167558794
2-[4-[2-(4-methoxyanilino)-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]acetamide
CID 22041271
1-[4-[7-chloro-1-methyl-2-[4-(morpholin-4-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]propan-2-one
CID 167596490
[4-[2-[4-bromo-2-(trifluoromethoxy)anilino]-1-methylbenzimidazol-5-yl]oxy-2-pyridinyl]methanol
CID 21037199

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The IUPAC name of 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one (CID 163563694) is 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one.
What is the SMILES notation for 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The canonical SMILES for 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is CC(=O)Cc1cc(Oc2ccc3c(nc(Nc4ccc(C)cc4F)n3C)c2C)ccn1.
What is the InChIKey of 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
The InChIKey is FTKLZIRCVWTLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O2/c1-14-5-6-20(19(25)11-14)27-24-28-23-16(3)22(8-7-21(23)29(24)4)31-18-9-10-26-17(13-18)12-15(2)30/h5-11,13H,12H2,1-4H3,(H,27,28).
What are the key properties of 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one?
1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one has a molecular weight of 418.47 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2-fluoro-4-methylanilino)-1,4-dimethylbenzimidazol-5-yl]oxy-2-pyridinyl]propan-2-one is sourced from PubChem (CID 163563694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).