ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate

C15H17FN2O2 — CID 79471310

IUPACethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3c(F)cccc3n2CC)CC1
InChIInChI=1S/C15H17FN2O2/c1-3-18-11-7-5-6-10(16)12(11)17-13(18)15(8-9-15)14(19)20-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyJOSUXRWBAIGAQK-UHFFFAOYSA-N
MW276.31 g/mol
LogP2.79
Rot. Bonds4

About ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate

ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 79471310) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID79471310
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Nameethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3c(F)cccc3n2CC)CC1
InChIInChI=1S/C15H17FN2O2/c1-3-18-11-7-5-6-10(16)12(11)17-13(18)15(8-9-15)14(19)20-4-2/h5-7H,3-4,8-9H2,1-2H3
InChIKeyJOSUXRWBAIGAQK-UHFFFAOYSA-N
XLogP2.79
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate (CID 79471310) is ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc3c(F)cccc3n2CC)CC1.
What is the InChIKey of ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is JOSUXRWBAIGAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c1-3-18-11-7-5-6-10(16)12(11)17-13(18)15(8-9-15)14(19)20-4-2/h5-7H,3-4,8-9H2,1-2H3.
What are the key properties of ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 276.31 g/mol, XLogP of 2.79, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79471310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).