4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide

C22H25FN4O5 — CID 90061717

IUPAC4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2nc3cc(F)ccc3n2CCOC)cc1OC
InChIInChI=1S/C22H25FN4O5/c1-4-32-18-8-5-14(11-19(18)31-3)21(29)24-13-20(28)26-22-25-16-12-15(23)6-7-17(16)27(22)9-10-30-2/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,29)(H,25,26,28)
InChIKeyGISYWWZUFUAYFV-UHFFFAOYSA-N
MW444.46 g/mol
LogP2.60
Rot. Bonds10

About 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide

4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide (PubChem CID 90061717) has the molecular formula C22H25FN4O5 and a molecular weight of 444.46 g/mol. Its IUPAC name is 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide.

Molecular Properties

Compound Name4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
PubChem CID90061717
Molecular FormulaC22H25FN4O5
Molecular Weight444.46 g/mol
Exact Mass444.18
IUPAC Name4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide
SMILESCCOc1ccc(C(=O)NCC(=O)Nc2nc3cc(F)ccc3n2CCOC)cc1OC
InChIInChI=1S/C22H25FN4O5/c1-4-32-18-8-5-14(11-19(18)31-3)21(29)24-13-20(28)26-22-25-16-12-15(23)6-7-17(16)27(22)9-10-30-2/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,29)(H,25,26,28)
InChIKeyGISYWWZUFUAYFV-UHFFFAOYSA-N
XLogP2.60
TPSA103.71 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide with MolForge

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Related Compounds

methyl 2-amino-1-(2-methoxyethyl)benzimidazole-5-carboxylate;methyl 2-[[4-(4-ethoxy-3-methoxyphenyl)-4-oxobutanoyl]amino]-1-(2-methoxyethyl)benzimidazole-5-carboxylate
CID 157161944
N'-(3,4-diethoxybenzoyl)-1-ethyl-2-methylbenzimidazole-5-carbohydrazide
CID 26536321
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
N-(1-ethyl-5-fluorobenzimidazol-2-yl)-2-propoxyacetamide
CID 75520441
4-bromo-N-[2-(4-ethoxy-3-methoxyanilino)-2-oxoethyl]benzamide
CID 9102895
N-[2-[(4-ethoxy-3-methoxybenzoyl)amino]ethyl]-3-fluoro-4-methylbenzamide
CID 33328596
3,4-diethoxy-N-[2-[3-[(3-fluorophenyl)carbamoyl]anilino]-2-oxoethyl]benzamide
CID 55946843
3,4-dimethoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]benzamide
CID 16983900
N-[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-3,4-diethoxybenzamide
CID 38105972
4-ethoxy-N-(2-hydroxypropyl)-3-methoxybenzamide
CID 43391198
ethyl 2-[(3-ethoxy-4-methoxybenzoyl)amino]acetate
CID 47257630
4-ethoxy-3-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 78786050

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide?
The IUPAC name of 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide (CID 90061717) is 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide.
What is the SMILES notation for 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide?
The canonical SMILES for 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide is CCOc1ccc(C(=O)NCC(=O)Nc2nc3cc(F)ccc3n2CCOC)cc1OC.
What is the InChIKey of 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide?
The InChIKey is GISYWWZUFUAYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O5/c1-4-32-18-8-5-14(11-19(18)31-3)21(29)24-13-20(28)26-22-25-16-12-15(23)6-7-17(16)27(22)9-10-30-2/h5-8,11-12H,4,9-10,13H2,1-3H3,(H,24,29)(H,25,26,28).
What are the key properties of 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide?
4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide has a molecular weight of 444.46 g/mol, XLogP of 2.60, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[2-[[5-fluoro-1-(2-methoxyethyl)benzimidazol-2-yl]amino]-2-oxoethyl]-3-methoxybenzamide is sourced from PubChem (CID 90061717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).