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

C14H15FN2O2 — CID 79733660

IUPACmethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCn1c(C2(C(=O)OC)CC2)nc2c(F)cccc21
InChIInChI=1S/C14H15FN2O2/c1-3-17-10-6-4-5-9(15)11(10)16-12(17)14(7-8-14)13(18)19-2/h4-6H,3,7-8H2,1-2H3
InChIKeyAYMMKVLOUNNERD-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.40
Rot. Bonds3

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

methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 79733660) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID79733660
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Namemethyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCn1c(C2(C(=O)OC)CC2)nc2c(F)cccc21
InChIInChI=1S/C14H15FN2O2/c1-3-17-10-6-4-5-9(15)11(10)16-12(17)14(7-8-14)13(18)19-2/h4-6H,3,7-8H2,1-2H3
InChIKeyAYMMKVLOUNNERD-UHFFFAOYSA-N
XLogP2.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate (CID 79733660) is methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate is CCn1c(C2(C(=O)OC)CC2)nc2c(F)cccc21.
What is the InChIKey of methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is AYMMKVLOUNNERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-3-17-10-6-4-5-9(15)11(10)16-12(17)14(7-8-14)13(18)19-2/h4-6H,3,7-8H2,1-2H3.
What are the key properties of methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-ethyl-4-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79733660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).