ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate

C20H16FN5O4 — CID 1043575

IUPACethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2nonc2NC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C20H16FN5O4/c1-2-29-16(27)11-26-15-10-6-5-9-14(15)22-19(26)17-18(25-30-24-17)23-20(28)12-7-3-4-8-13(12)21/h3-10H,2,11H2,1H3,(H,23,25,28)
InChIKeyIEPWZZCIRVBASB-UHFFFAOYSA-N
MW409.38 g/mol
LogP3.04
Rot. Bonds6

About ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate

ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate (PubChem CID 1043575) has the molecular formula C20H16FN5O4 and a molecular weight of 409.38 g/mol. Its IUPAC name is ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate
PubChem CID1043575
Molecular FormulaC20H16FN5O4
Molecular Weight409.38 g/mol
Exact Mass409.12
IUPAC Nameethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate
SMILESCCOC(=O)Cn1c(-c2nonc2NC(=O)c2ccccc2F)nc2ccccc21
InChIInChI=1S/C20H16FN5O4/c1-2-29-16(27)11-26-15-10-6-5-9-14(15)22-19(26)17-18(25-30-24-17)23-20(28)12-7-3-4-8-13(12)21/h3-10H,2,11H2,1H3,(H,23,25,28)
InChIKeyIEPWZZCIRVBASB-UHFFFAOYSA-N
XLogP3.04
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.38
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-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

Lisavanbulin
CID 45259014
Avanbulin
CID 11176685
IRAK-1/4 inhibitor
CID 11983295
(3R,4S)-Tetrahydro-N-hydroxy-4-[[4-[[2-(trifluoromethyl)-1H-benzimidazol-1-yl]methyl]benzoyl]amino]-3-furancarboxamide
CID 10275545
methyl 4-({[2-(4-amino-1,2,5-oxadiazol-3-yl)-1H-benzimidazol-1-yl]acetyl}amino)benzoate
CID 1017540
N-[4-(1-Benzyl-1H-benzoimidazol-2-yl)-furazan-3-yl]-acetamide
CID 3140709
N-[4-(1-butyl-1H-benzimidazol-2-yl)-1,2,5-oxadiazol-3-yl]-2-chlorobenzamide
CID 3239208
N-{1-[2-(4-morpholinyl)ethyl]-1H-benzimidazol-2-yl}benzamide
CID 2837113
4-{2-[2-(4-Amino-furazan-3-yl)-benzoimidazol-1-yl]-acetylamino}-benzoic acid isopropyl ester
CID 3143915
N-(3-acetylphenyl)-2-[2-(4-amino-1,2,5-oxadiazol-3-yl)benzimidazol-1-yl]acetamide
CID 1016406
ethyl 3-(2-(3-nitrobenzamido)-1H-benzo[d]imidazol-1-yl)propanoate
CID 44412174
3-nitro-N-(1-(2-oxo-tetrahydrofuran-3-yl)-1H-benzo[d]imidazol-2-yl)benzamide
CID 44412178

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate?
The IUPAC name of ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate (CID 1043575) is ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate is CCOC(=O)Cn1c(-c2nonc2NC(=O)c2ccccc2F)nc2ccccc21.
What is the InChIKey of ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate?
The InChIKey is IEPWZZCIRVBASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O4/c1-2-29-16(27)11-26-15-10-6-5-9-14(15)22-19(26)17-18(25-30-24-17)23-20(28)12-7-3-4-8-13(12)21/h3-10H,2,11H2,1H3,(H,23,25,28).
What are the key properties of ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate?
ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate has a molecular weight of 409.38 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[4-[(2-fluorobenzoyl)amino]-1,2,5-oxadiazol-3-yl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 1043575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).