ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate

C14H19BrN2O2 — CID 168849050

IUPACethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate
SMILESCCOC(=O)C(c1ncc(Br)[nH]1)C(C1CC1)C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-2-19-14(18)12(13-16-7-10(15)17-13)11(8-3-4-8)9-5-6-9/h7-9,11-12H,2-6H2,1H3,(H,16,17)
InChIKeyRJBRPRGRJKDPPX-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.26
Rot. Bonds6

About ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate

ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate (PubChem CID 168849050) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate.

Molecular Properties

Compound Nameethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate
PubChem CID168849050
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Nameethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate
SMILESCCOC(=O)C(c1ncc(Br)[nH]1)C(C1CC1)C1CC1
InChIInChI=1S/C14H19BrN2O2/c1-2-19-14(18)12(13-16-7-10(15)17-13)11(8-3-4-8)9-5-6-9/h7-9,11-12H,2-6H2,1H3,(H,16,17)
InChIKeyRJBRPRGRJKDPPX-UHFFFAOYSA-N
XLogP3.26
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate 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 ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate?
The IUPAC name of ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate (CID 168849050) is ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate.
What is the SMILES notation for ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate?
The canonical SMILES for ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate is CCOC(=O)C(c1ncc(Br)[nH]1)C(C1CC1)C1CC1.
What is the InChIKey of ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate?
The InChIKey is RJBRPRGRJKDPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-2-19-14(18)12(13-16-7-10(15)17-13)11(8-3-4-8)9-5-6-9/h7-9,11-12H,2-6H2,1H3,(H,16,17).
What are the key properties of ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate?
ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate has a molecular weight of 327.22 g/mol, XLogP of 3.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-bromo-1H-imidazol-2-yl)-3,3-dicyclopropylpropanoate is sourced from PubChem (CID 168849050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).