ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate

C18H25FN4O2 — CID 19101699

IUPACethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc2cc(F)c(N3CCN(C)CC3)cc2n1CC
InChIInChI=1S/C18H25FN4O2/c1-4-23-16-11-15(22-8-6-21(3)7-9-22)13(19)10-14(16)20-17(23)12-18(24)25-5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyYKQOMCNDMMEBDI-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.05
Rot. Bonds5

About ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate

ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate (PubChem CID 19101699) has the molecular formula C18H25FN4O2 and a molecular weight of 348.42 g/mol. Its IUPAC name is ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate
PubChem CID19101699
Molecular FormulaC18H25FN4O2
Molecular Weight348.42 g/mol
Exact Mass348.20
IUPAC Nameethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate
SMILESCCOC(=O)Cc1nc2cc(F)c(N3CCN(C)CC3)cc2n1CC
InChIInChI=1S/C18H25FN4O2/c1-4-23-16-11-15(22-8-6-21(3)7-9-22)13(19)10-14(16)20-17(23)12-18(24)25-5-2/h10-11H,4-9,12H2,1-3H3
InChIKeyYKQOMCNDMMEBDI-UHFFFAOYSA-N
XLogP2.05
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 2-(1-ethyl-6-fluorobenzimidazol-2-yl)acetate
CID 79474955
2-[1-cyclopropyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]-N-phenylmethoxyacetamide
CID 15751503
ethyl 2-(5-fluoro-1-methylbenzimidazol-2-yl)acetate
CID 79474236
ethyl [1-ethyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinolin-3-yl] carbonate
CID 70471245
methyl 2-(aminomethyl)-3-ethyl-6-fluorobenzimidazole-5-carboxylate
CID 122420165
N-(5-fluoro-6-morpholin-4-yl-1-propylbenzimidazol-2-yl)acetamide
CID 91247452
ethyl 2-[2-(chloromethyl)-5-fluoro-6-methoxybenzimidazol-1-yl]acetate
CID 63599125
[1-ethyl-7-(4-methylpiperazin-1-yl)benzimidazol-2-yl]methyl acetate
CID 69229150
5-ethyl-8-fluoro-2-hydroxy-7-(4-methylpiperazin-1-yl)pyrimido[1,6-a]benzimidazole-1,3-dione
CID 15751514
6-fluoro-7-(4-methylpiperazin-1-yl)quinoxaline
CID 15312350
ethyl 2-[(1-ethyl-5-piperidin-1-ylsulfonylbenzimidazol-2-yl)methylsulfanyl]acetate
CID 40685208
ethyl 2-[1-(2-cyanoethyl)-4-piperidin-1-ylbenzimidazol-2-yl]acetate
CID 22625839

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate?
The IUPAC name of ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate (CID 19101699) is ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate?
The canonical SMILES for ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate is CCOC(=O)Cc1nc2cc(F)c(N3CCN(C)CC3)cc2n1CC.
What is the InChIKey of ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate?
The InChIKey is YKQOMCNDMMEBDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O2/c1-4-23-16-11-15(22-8-6-21(3)7-9-22)13(19)10-14(16)20-17(23)12-18(24)25-5-2/h10-11H,4-9,12H2,1-3H3.
What are the key properties of ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate?
ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate has a molecular weight of 348.42 g/mol, XLogP of 2.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[1-ethyl-5-fluoro-6-(4-methylpiperazin-1-yl)benzimidazol-2-yl]acetate is sourced from PubChem (CID 19101699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).