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

C15H19FN2O2 — CID 79475283

IUPACethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
SMILESCCCn1c(C(C)C(=O)OCC)nc2c(F)cccc21
InChIInChI=1S/C15H19FN2O2/c1-4-9-18-12-8-6-7-11(16)13(12)17-14(18)10(3)15(19)20-5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyZNRBQYFAFCFHKV-UHFFFAOYSA-N
MW278.33 g/mol
LogP3.25
Rot. Bonds5

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

ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate (PubChem CID 79475283) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
PubChem CID79475283
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Nameethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate
SMILESCCCn1c(C(C)C(=O)OCC)nc2c(F)cccc21
InChIInChI=1S/C15H19FN2O2/c1-4-9-18-12-8-6-7-11(16)13(12)17-14(18)10(3)15(19)20-5-2/h6-8,10H,4-5,9H2,1-3H3
InChIKeyZNRBQYFAFCFHKV-UHFFFAOYSA-N
XLogP3.25
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)butanoate
CID 79480808
ethyl 2-(1-propylbenzimidazol-2-yl)propanoate
CID 79475436
ethyl 2-(4-fluoro-1-methylbenzimidazol-2-yl)pentanoate
CID 79474721
N-ethyl-2-(4-fluoro-1-propylbenzimidazol-2-yl)propan-1-amine
CID 62852788
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
5-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-2-amine
CID 60784924
2-(4-fluoro-1-propylbenzimidazol-2-yl)thiophen-3-amine
CID 60784771
ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
CID 79471310
2-(1-chloroethyl)-4-fluoro-1-(3-propoxypropyl)benzimidazole
CID 82943672
ethyl 2-(4-fluoro-1H-benzimidazol-2-yl)propanoate
CID 79474563
ethyl 2-(4-fluoro-1-propan-2-ylbenzimidazol-2-yl)acetate
CID 79475353
2-(1-chloroethyl)-4-fluoro-1-(5-methylhexyl)benzimidazole
CID 115326584

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate?
The IUPAC name of ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate (CID 79475283) is ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate.
What is the SMILES notation for ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate?
The canonical SMILES for ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate is CCCn1c(C(C)C(=O)OCC)nc2c(F)cccc21.
What is the InChIKey of ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate?
The InChIKey is ZNRBQYFAFCFHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-4-9-18-12-8-6-7-11(16)13(12)17-14(18)10(3)15(19)20-5-2/h6-8,10H,4-5,9H2,1-3H3.
What are the key properties of ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate?
ethyl 2-(4-fluoro-1-propylbenzimidazol-2-yl)propanoate has a molecular weight of 278.33 g/mol, XLogP of 3.25, 5 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)propanoate is sourced from PubChem (CID 79475283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).