ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate

C15H18N2O2 — CID 177334567

IUPACethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O2/c1-4-19-15(18)14-9-16-10-17(14)12(3)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3/t12-/m1/s1
InChIKeyOOSNNQMKCOSDOB-GFCCVEGCSA-N
MW258.32 g/mol
LogP2.98
Rot. Bonds4

About ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate

ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate (PubChem CID 177334567) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
PubChem CID177334567
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Nameethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cncn1[C@H](C)c1ccc(C)cc1
InChIInChI=1S/C15H18N2O2/c1-4-19-15(18)14-9-16-10-17(14)12(3)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3/t12-/m1/s1
InChIKeyOOSNNQMKCOSDOB-GFCCVEGCSA-N
XLogP2.98
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-methylpropyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate
CID 177334632
ethyl 3-[(1R)-1-(3,5-dimethoxyphenyl)ethyl]imidazole-4-carboxylate
CID 138514748
ethyl 3-[1-[4-[3-(trifluoromethyl)diazirin-3-yl]phenyl]ethyl]imidazole-4-carboxylate
CID 46930827
methoxycarbonyloxymethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 154601739
(3-oxo-2-phenylbutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246219
(2-methyl-3-oxopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 129313659
(1-ethylcyclobutyl)methyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 155325730
(1-hydroxycyclobutyl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373640
ethyl 5-methyl-4-[1-(4-methylphenyl)ethyl]-1,2,4-triazole-3-carboxylate
CID 83232466
2-methylpropyl 3-[1-(4-phenylmethoxyphenyl)ethyl]imidazole-4-carboxylate
CID 177334658
3-propan-2-yloxycarbonyloxypropyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174877574
[3-(difluoromethyl)oxetan-3-yl]methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373636

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate (CID 177334567) is ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate is CCOC(=O)c1cncn1[C@H](C)c1ccc(C)cc1.
What is the InChIKey of ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate?
The InChIKey is OOSNNQMKCOSDOB-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-19-15(18)14-9-16-10-17(14)12(3)13-7-5-11(2)6-8-13/h5-10,12H,4H2,1-3H3/t12-/m1/s1.
What are the key properties of ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate?
ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate has a molecular weight of 258.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(1R)-1-(4-methylphenyl)ethyl]imidazole-4-carboxylate is sourced from PubChem (CID 177334567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).