4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole

C14H18N2O — CID 126448059

IUPAC4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole
SMILESCO[C@@H](C)c1cccc(-c2nc(C)[nH]c2C)c1
InChIInChI=1S/C14H18N2O/c1-9-14(16-11(3)15-9)13-7-5-6-12(8-13)10(2)17-4/h5-8,10H,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyVKJJRYQURGAURR-JTQLQIEISA-N
MW230.31 g/mol
LogP3.40
Rot. Bonds3

About 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole

4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole (PubChem CID 126448059) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole
PubChem CID126448059
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole
SMILESCO[C@@H](C)c1cccc(-c2nc(C)[nH]c2C)c1
InChIInChI=1S/C14H18N2O/c1-9-14(16-11(3)15-9)13-7-5-6-12(8-13)10(2)17-4/h5-8,10H,1-4H3,(H,15,16)/t10-/m0/s1
InChIKeyVKJJRYQURGAURR-JTQLQIEISA-N
XLogP3.40
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole 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

3-[3-(1-methoxyethyl)phenyl]-N,N-dimethylpyrazin-2-amine
CID 74250142
3-methoxy-5-[3-(1-methoxyethyl)phenyl]-1H-1,2,4-triazole
CID 121498247
3-[3-[(1R)-1-methoxyethyl]phenyl]-5-propan-2-yl-1H-1,2,4-triazole
CID 97434250
4-[3-(1-methoxyethyl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 50948381
6-[3-(1-methoxyethyl)phenyl]-2,4-dimethylpyridine-3-carboxylic acid
CID 122571574
5-[3-[(1S)-1-methoxyethyl]phenyl]-2-methyl-4H-1,2,4-triazol-3-one
CID 137086671
5-[3-(1-methoxyethyl)phenyl]-2-propyl-1H-imidazole
CID 121497205
2-[3-[(1S)-1-methoxyethyl]phenyl]-3-pyrrolidin-1-ylpyrazine
CID 126424979
1-(difluoromethyl)-4-[3-(1-methoxyethyl)phenyl]-5-methylpyrazole
CID 72899024
2-[3-[3-[(1R)-1-methoxyethyl]phenyl]phenyl]-5-methyl-1,3,4-oxadiazole
CID 97437656
3-[3-[(1S)-1-methoxyethyl]phenyl]-6-propan-2-ylpyridazine
CID 126446276
2-[3-[(1R)-1-methoxyethyl]phenyl]-6-methylpyrimidine-4-carboxylic acid
CID 125435471

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole?
The IUPAC name of 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole (CID 126448059) is 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole.
What is the SMILES notation for 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole?
The canonical SMILES for 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole is CO[C@@H](C)c1cccc(-c2nc(C)[nH]c2C)c1.
What is the InChIKey of 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole?
The InChIKey is VKJJRYQURGAURR-JTQLQIEISA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-14(16-11(3)15-9)13-7-5-6-12(8-13)10(2)17-4/h5-8,10H,1-4H3,(H,15,16)/t10-/m0/s1.
What are the key properties of 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole?
4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole has a molecular weight of 230.31 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(1S)-1-methoxyethyl]phenyl]-2,5-dimethyl-1H-imidazole is sourced from PubChem (CID 126448059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).