4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole

C14H20N4O2 — CID 154823831

IUPAC4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole
SMILESCCO[C@H]1COC[C@@H]1n1ccnc1-c1cn(C)c(C)n1
InChIInChI=1S/C14H20N4O2/c1-4-20-13-9-19-8-12(13)18-6-5-15-14(18)11-7-17(3)10(2)16-11/h5-7,12-13H,4,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyDVFNZRRMIAZRSM-STQMWFEESA-N
MW276.34 g/mol
LogP1.57
Rot. Bonds4

About 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole

4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole (PubChem CID 154823831) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole
PubChem CID154823831
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole
SMILESCCO[C@H]1COC[C@@H]1n1ccnc1-c1cn(C)c(C)n1
InChIInChI=1S/C14H20N4O2/c1-4-20-13-9-19-8-12(13)18-6-5-15-14(18)11-7-17(3)10(2)16-11/h5-7,12-13H,4,8-9H2,1-3H3/t12-,13-/m0/s1
InChIKeyDVFNZRRMIAZRSM-STQMWFEESA-N
XLogP1.57
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-2-(4-fluoro-2-methylphenyl)imidazole
CID 146042373
2-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]benzoic acid
CID 70758528
4-[1-(9H-fluoren-9-yl)imidazol-2-yl]-1,2-dimethylimidazole
CID 154817844
(7R,8aS)-7-[2-(1,2-dimethylimidazol-4-yl)imidazol-1-yl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 154818058
1-[(3R,4R)-4-methoxyoxolan-3-yl]-2-[5-(1H-pyrazol-5-yl)furan-2-yl]imidazole
CID 154820229
2-(3,5-dimethyl-1-benzofuran-2-yl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 155495850
2-(2,4-difluorophenyl)-1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazole
CID 154823286
formic acid;3-[5-[1-[(3R,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]furan-2-yl]sulfanyl-4-methyl-1,2,4-triazole
CID 155939260
3,4-diethoxyoxolane
CID 14307969
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole
CID 50970568
2-methoxy-5-[1-[(3S,4R)-4-methoxyoxolan-3-yl]imidazol-2-yl]phenol
CID 146042201
(3R,3aS,6aR)-3-ethoxy-1-(1-methylimidazol-4-yl)sulfonyl-2,3,3a,4,6,6a-hexahydrofuro[3,4-b]pyrrole
CID 134689973

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole?
The IUPAC name of 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole (CID 154823831) is 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole.
What is the SMILES notation for 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole?
The canonical SMILES for 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole is CCO[C@H]1COC[C@@H]1n1ccnc1-c1cn(C)c(C)n1.
What is the InChIKey of 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole?
The InChIKey is DVFNZRRMIAZRSM-STQMWFEESA-N. The full InChI is InChI=1S/C14H20N4O2/c1-4-20-13-9-19-8-12(13)18-6-5-15-14(18)11-7-17(3)10(2)16-11/h5-7,12-13H,4,8-9H2,1-3H3/t12-,13-/m0/s1.
What are the key properties of 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole?
4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole has a molecular weight of 276.34 g/mol, XLogP of 1.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3S,4R)-4-ethoxyoxolan-3-yl]imidazol-2-yl]-1,2-dimethylimidazole is sourced from PubChem (CID 154823831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).