methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate

C18H24N2O4 — CID 155461185

IUPACmethyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate
SMILESCCOCc1nc(C(=O)OC)c(-c2ccccc2)n1CC(C)(C)O
InChIInChI=1S/C18H24N2O4/c1-5-24-11-14-19-15(17(21)23-4)16(13-9-7-6-8-10-13)20(14)12-18(2,3)22/h6-10,22H,5,11-12H2,1-4H3
InChIKeyYRYUNWJHYZVRFG-UHFFFAOYSA-N
MW332.40 g/mol
LogP2.64
Rot. Bonds7

About methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate

methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate (PubChem CID 155461185) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate
PubChem CID155461185
Molecular FormulaC18H24N2O4
Molecular Weight332.40 g/mol
Exact Mass332.17
IUPAC Namemethyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate
SMILESCCOCc1nc(C(=O)OC)c(-c2ccccc2)n1CC(C)(C)O
InChIInChI=1S/C18H24N2O4/c1-5-24-11-14-19-15(17(21)23-4)16(13-9-7-6-8-10-13)20(14)12-18(2,3)22/h6-10,22H,5,11-12H2,1-4H3
InChIKeyYRYUNWJHYZVRFG-UHFFFAOYSA-N
XLogP2.64
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 7-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473603
Ethyl 2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473601
Ethyl 6-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473602
ethyl 1-[4-methoxy-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]-4-phenyl-1H-1,2,3-triazole-5-carboxylate
CID 1260743
ethyl 1-[4-(dimethylamino)-6-methoxy-1,3,5-triazin-2-yl]-5-phenyl-1H-1,2,3-triazole-4-carboxylate
CID 1262082
Ethyl 8-methyl-2-phenylimidazo[1,2-a]pyridine-3-carboxylate
CID 1473604
2-[4-[[5-Ethoxycarbonyl-4-(2-hydroxypropan-2-yl)-2-propylimidazol-1-yl]methyl]phenyl]benzoic acid
CID 10503729
3-[[4-(2-Carboxyphenyl)phenyl]methyl]-2-ethyl-5-(2-hydroxypropan-2-yl)imidazole-4-carboxylic acid
CID 10692816
1-[(2'-Carboxybiphenyl-4-yl)methyl]-4-(1-hydroxy-1-methylethyl)-2-propylimidazole-5-carboxylic acid
CID 10764699
2-Butyl-3-(2''-carboxy-biphenyl-4-ylmethyl)-5-(1-hydroxy-1-methyl-ethyl)-3H-imidazole-4-carboxylic acid
CID 10765381
ethyl 2-butyl-5-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 14971636
3-[[4-(2-Carboxyphenyl)phenyl]methyl]-5-ethyl-2-propylimidazole-4-carboxylic acid
CID 10500716

Frequently Asked Questions

What is the IUPAC name of methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate?
The IUPAC name of methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate (CID 155461185) is methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate.
What is the SMILES notation for methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate?
The canonical SMILES for methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate is CCOCc1nc(C(=O)OC)c(-c2ccccc2)n1CC(C)(C)O.
What is the InChIKey of methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate?
The InChIKey is YRYUNWJHYZVRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-5-24-11-14-19-15(17(21)23-4)16(13-9-7-6-8-10-13)20(14)12-18(2,3)22/h6-10,22H,5,11-12H2,1-4H3.
What are the key properties of methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate?
methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate has a molecular weight of 332.40 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(ethoxymethyl)-1-(2-hydroxy-2-methylpropyl)-5-phenylimidazole-4-carboxylate is sourced from PubChem (CID 155461185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).