[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate

C17H22N2O3 — CID 171346206

IUPAC[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate
SMILESCCOC(=O)OCn1cnc([C@@H](C)c2cccc(C)c2C)c1
InChIInChI=1S/C17H22N2O3/c1-5-21-17(20)22-11-19-9-16(18-10-19)14(4)15-8-6-7-12(2)13(15)3/h6-10,14H,5,11H2,1-4H3/t14-/m0/s1
InChIKeyKUKQCODRZXYNNH-AWEZNQCLSA-N
MW302.37 g/mol
LogP3.78
Rot. Bonds5

About [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate

[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate (PubChem CID 171346206) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate.

Molecular Properties

Compound Name[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate
PubChem CID171346206
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate
SMILESCCOC(=O)OCn1cnc([C@@H](C)c2cccc(C)c2C)c1
InChIInChI=1S/C17H22N2O3/c1-5-21-17(20)22-11-19-9-16(18-10-19)14(4)15-8-6-7-12(2)13(15)3/h6-10,14H,5,11H2,1-4H3/t14-/m0/s1
InChIKeyKUKQCODRZXYNNH-AWEZNQCLSA-N
XLogP3.78
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate 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

[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl propan-2-yl carbonate;hydrochloride
CID 171352951
[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl prop-2-enoate
CID 171749273
[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl benzoate;hydrochloride
CID 171354375
4-[1-(2,3-dimethylphenyl)ethyl]-1-methylimidazole
CID 134093732
[2-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2-methylpropanoate
CID 66771153
tert-butyl N-[(2S)-1-[4-[1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 123434799
ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968
2-ethylbutyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
CID 66771691
1-(1-ethoxyethyl)-2,3-dimethylbenzene
CID 19386638
(2-chloro-3-methylphenyl)-(1-ethylimidazol-4-yl)methanamine
CID 114272933
[2-[(1R)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl 2,2-dimethylpropanoate
CID 68677889
ethyl (3S)-3-amino-3-(2,3-dimethylphenyl)-2-fluoropropanoate;hydrochloride
CID 171247236

Frequently Asked Questions

What is the IUPAC name of [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate?
The IUPAC name of [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate (CID 171346206) is [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate.
What is the SMILES notation for [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate?
The canonical SMILES for [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate is CCOC(=O)OCn1cnc([C@@H](C)c2cccc(C)c2C)c1.
What is the InChIKey of [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate?
The InChIKey is KUKQCODRZXYNNH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-5-21-17(20)22-11-19-9-16(18-10-19)14(4)15-8-6-7-12(2)13(15)3/h6-10,14H,5,11H2,1-4H3/t14-/m0/s1.
What are the key properties of [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate?
[4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate has a molecular weight of 302.37 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazol-1-yl]methyl ethyl carbonate is sourced from PubChem (CID 171346206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).