ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate

C16H21FN2O2 — CID 79480808

IUPACethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
SMILESCCCn1c(C(CC)C(=O)OCC)nc2c(F)cccc21
InChIInChI=1S/C16H21FN2O2/c1-4-10-19-13-9-7-8-12(17)14(13)18-15(19)11(5-2)16(20)21-6-3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyNLSFBIXBZIEZAX-UHFFFAOYSA-N
MW292.35 g/mol
LogP3.64
Rot. Bonds6

About ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate

ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate (PubChem CID 79480808) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
PubChem CID79480808
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Nameethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
SMILESCCCn1c(C(CC)C(=O)OCC)nc2c(F)cccc21
InChIInChI=1S/C16H21FN2O2/c1-4-10-19-13-9-7-8-12(17)14(13)18-15(19)11(5-2)16(20)21-6-3/h7-9,11H,4-6,10H2,1-3H3
InChIKeyNLSFBIXBZIEZAX-UHFFFAOYSA-N
XLogP3.64
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate?
The IUPAC name of ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate (CID 79480808) is ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate.
What is the SMILES notation for ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate?
The canonical SMILES for ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate is CCCn1c(C(CC)C(=O)OCC)nc2c(F)cccc21.
What is the InChIKey of ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate?
The InChIKey is NLSFBIXBZIEZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-4-10-19-13-9-7-8-12(17)14(13)18-15(19)11(5-2)16(20)21-6-3/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate?
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate has a molecular weight of 292.35 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate is sourced from PubChem (CID 79480808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).