ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate

C16H17FN2O2 — CID 79480035

IUPACethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3cc(F)ccc3n2C2CC2)CC1
InChIInChI=1S/C16H17FN2O2/c1-2-21-15(20)16(7-8-16)14-18-12-9-10(17)3-6-13(12)19(14)11-4-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3
InChIKeyZMBXXFFQYRFHMX-UHFFFAOYSA-N
MW288.32 g/mol
LogP3.11
Rot. Bonds4

About ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate

ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate (PubChem CID 79480035) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
PubChem CID79480035
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Nameethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(c2nc3cc(F)ccc3n2C2CC2)CC1
InChIInChI=1S/C16H17FN2O2/c1-2-21-15(20)16(7-8-16)14-18-12-9-10(17)3-6-13(12)19(14)11-4-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3
InChIKeyZMBXXFFQYRFHMX-UHFFFAOYSA-N
XLogP3.11
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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US11141403, Example 13
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methyl (2-methyl-1H-benzimidazol-1-yl)acetate
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate (CID 79480035) is ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate is CCOC(=O)C1(c2nc3cc(F)ccc3n2C2CC2)CC1.
What is the InChIKey of ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
The InChIKey is ZMBXXFFQYRFHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-2-21-15(20)16(7-8-16)14-18-12-9-10(17)3-6-13(12)19(14)11-4-5-11/h3,6,9,11H,2,4-5,7-8H2,1H3.
What are the key properties of ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate?
ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate has a molecular weight of 288.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(1-cyclopropyl-5-fluorobenzimidazol-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 79480035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).