ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate

C19H18N2O3 — CID 44605551

IUPACethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1OC
InChIInChI=1S/C19H18N2O3/c1-3-24-19(22)17-16(14-11-7-8-12-15(14)23-2)20-18(21-17)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyAJGRHQVLCFPWRS-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.93
Rot. Bonds5

About ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate

ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate (PubChem CID 44605551) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
PubChem CID44605551
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1OC
InChIInChI=1S/C19H18N2O3/c1-3-24-19(22)17-16(14-11-7-8-12-15(14)23-2)20-18(21-17)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3,(H,20,21)
InChIKeyAJGRHQVLCFPWRS-UHFFFAOYSA-N
XLogP3.93
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
ethyl 2-phenyl-4-pyrrolidin-1-yl-1H-imidazole-5-carboxylate
CID 44605359
2-amino-4-(2-methoxyphenyl)-1H-imidazole-5-carboxylic acid
CID 82475427
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703614
[2-(4-fluorophenyl)-4-(2-methoxyphenyl)-1H-imidazol-5-yl]methanol
CID 59384881
2-(2-methoxyphenyl)-1H-imidazole-4,5-dicarboxylic acid
CID 121001392
ethyl 3-(2-methoxyphenyl)-1H-pyrazole-5-carboxylate
CID 57356240
ethyl 2-(2-methoxyphenyl)imidazo[1,2-a]pyridine-3-carboxylate
CID 10108596
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680
ethyl 2-phenacyl-4-phenyl-1H-imidazole-5-carboxylate
CID 134910208
ethyl 2-(4-methoxyphenyl)-5-methyl-1H-imidazole-4-carboxylate
CID 43445125

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate (CID 44605551) is ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccccc1OC.
What is the InChIKey of ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The InChIKey is AJGRHQVLCFPWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(22)17-16(14-11-7-8-12-15(14)23-2)20-18(21-17)13-9-5-4-6-10-13/h4-12H,3H2,1-2H3,(H,20,21).
What are the key properties of ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate?
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 44605551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).