methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate

C14H13FN2O2 — CID 116882513

IUPACmethyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ncc(-c3ccccc3F)[nH]2)CC1
InChIInChI=1S/C14H13FN2O2/c1-19-13(18)14(6-7-14)12-16-8-11(17-12)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyLRLZEFCHWCOFOK-UHFFFAOYSA-N
MW260.27 g/mol
LogP2.42
Rot. Bonds3

About methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate

methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate (PubChem CID 116882513) has the molecular formula C14H13FN2O2 and a molecular weight of 260.27 g/mol. Its IUPAC name is methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
PubChem CID116882513
Molecular FormulaC14H13FN2O2
Molecular Weight260.27 g/mol
Exact Mass260.10
IUPAC Namemethyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ncc(-c3ccccc3F)[nH]2)CC1
InChIInChI=1S/C14H13FN2O2/c1-19-13(18)14(6-7-14)12-16-8-11(17-12)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,17)
InChIKeyLRLZEFCHWCOFOK-UHFFFAOYSA-N
XLogP2.42
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate 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 methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate (CID 116882513) is methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate is COC(=O)C1(c2ncc(-c3ccccc3F)[nH]2)CC1.
What is the InChIKey of methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate?
The InChIKey is LRLZEFCHWCOFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2/c1-19-13(18)14(6-7-14)12-16-8-11(17-12)9-4-2-3-5-10(9)15/h2-5,8H,6-7H2,1H3,(H,16,17).
What are the key properties of methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate?
methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate has a molecular weight of 260.27 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-(2-fluorophenyl)-1H-imidazol-2-yl]cyclopropane-1-carboxylate is sourced from PubChem (CID 116882513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).