1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole

C12H20N2O — CID 97329165

IUPAC1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole
SMILESCCO[C@@H](C)c1nccn1CC1CCC1
InChIInChI=1S/C12H20N2O/c1-3-15-10(2)12-13-7-8-14(12)9-11-5-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyNYPHCSVLEROFNP-JTQLQIEISA-N
MW208.31 g/mol
LogP2.78
Rot. Bonds5

About 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole

1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole (PubChem CID 97329165) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole
PubChem CID97329165
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole
SMILESCCO[C@@H](C)c1nccn1CC1CCC1
InChIInChI=1S/C12H20N2O/c1-3-15-10(2)12-13-7-8-14(12)9-11-5-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3/t10-/m0/s1
InChIKeyNYPHCSVLEROFNP-JTQLQIEISA-N
XLogP2.78
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole 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 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole?
The IUPAC name of 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole (CID 97329165) is 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole.
What is the SMILES notation for 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole?
The canonical SMILES for 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole is CCO[C@@H](C)c1nccn1CC1CCC1.
What is the InChIKey of 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole?
The InChIKey is NYPHCSVLEROFNP-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-15-10(2)12-13-7-8-14(12)9-11-5-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole?
1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole has a molecular weight of 208.31 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-2-[(1S)-1-ethoxyethyl]imidazole is sourced from PubChem (CID 97329165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).