(3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate

C23H26N2O3 — CID 66775201

IUPAC(3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
SMILESCCOc1cccc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)c1
InChIInChI=1S/C23H26N2O3/c1-5-27-20-10-7-9-19(14-20)15-28-23(26)25-13-12-24-22(25)18(4)21-11-6-8-16(2)17(21)3/h6-14,18H,5,15H2,1-4H3/t18-/m0/s1
InChIKeyIEXJZSCHUIEATM-SFHVURJKSA-N
MW378.47 g/mol
LogP5.24
Rot. Bonds6

About (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate

(3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate (PubChem CID 66775201) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate.

Molecular Properties

Compound Name(3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
PubChem CID66775201
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name(3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate
SMILESCCOc1cccc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)c1
InChIInChI=1S/C23H26N2O3/c1-5-27-20-10-7-9-19(14-20)15-28-23(26)25-13-12-24-22(25)18(4)21-11-6-8-16(2)17(21)3/h6-14,18H,5,15H2,1-4H3/t18-/m0/s1
InChIKeyIEXJZSCHUIEATM-SFHVURJKSA-N
XLogP5.24
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate?
The IUPAC name of (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate (CID 66775201) is (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate.
What is the SMILES notation for (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate?
The canonical SMILES for (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate is CCOc1cccc(COC(=O)n2ccnc2[C@@H](C)c2cccc(C)c2C)c1.
What is the InChIKey of (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate?
The InChIKey is IEXJZSCHUIEATM-SFHVURJKSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-5-27-20-10-7-9-19(14-20)15-28-23(26)25-13-12-24-22(25)18(4)21-11-6-8-16(2)17(21)3/h6-14,18H,5,15H2,1-4H3/t18-/m0/s1.
What are the key properties of (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate?
(3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate has a molecular weight of 378.47 g/mol, XLogP of 5.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethoxyphenyl)methyl 2-[(1S)-1-(2,3-dimethylphenyl)ethyl]imidazole-1-carboxylate is sourced from PubChem (CID 66775201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).