methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate

C23H26N2O2 — CID 72696305

IUPACmethyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nccn2-c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H26N2O2/c1-15(2)19-7-6-8-20(16(3)4)21(19)25-14-13-24-22(25)17-9-11-18(12-10-17)23(26)27-5/h6-16H,1-5H3
InChIKeyMUGSBBJTCRVLPE-UHFFFAOYSA-N
MW362.47 g/mol
LogP5.57
Rot. Bonds5

About methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate

methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate (PubChem CID 72696305) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate
PubChem CID72696305
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Namemethyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate
SMILESCOC(=O)c1ccc(-c2nccn2-c2c(C(C)C)cccc2C(C)C)cc1
InChIInChI=1S/C23H26N2O2/c1-15(2)19-7-6-8-20(16(3)4)21(19)25-14-13-24-22(25)17-9-11-18(12-10-17)23(26)27-5/h6-16H,1-5H3
InChIKeyMUGSBBJTCRVLPE-UHFFFAOYSA-N
XLogP5.57
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2,6-di(propan-2-yl)phenyl]imidazole-2-carboxylic acid
CID 69081563
1-[2,6-di(propan-2-yl)phenyl]-2-[3-[3-[1-[4-[4-(2-phenylimidazol-1-yl)-3,5-di(propan-2-yl)phenyl]-2,6-di(propan-2-yl)phenyl]imidazol-2-yl]phenoxy]phenyl]imidazole
CID 140803144
1-[2,6-di(propan-2-yl)phenyl]-2-[5-[3-[5-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]pyrrol-1-id-2-yl]-2,3-dimethylbutan-2-yl]pyrrol-1-id-2-yl]imidazole;platinum(2+)
CID 162466983
formic acid;methyl 4-[1-(oxan-4-yl)imidazol-2-yl]benzoate
CID 154919892
2-(2,3,4,5,6-pentadeuteriophenyl)-1-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-propan-2-ylphenyl]imidazole
CID 118944080
CID 162072603
CID 162072603
2-phenyl-1-[3-phenyl-2,6-di(propan-2-yl)phenyl]imidazole
CID 58175702
methyl 4-(1-methyl-5-nitroimidazol-2-yl)benzoate
CID 23275075
ethane;methyl 2-methyl-6-propan-2-ylbenzoate
CID 144651677
CID 142308532
CID 142308532
methyl 4-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazine-1-carbonyl]benzoate
CID 90560568
2-[2-(2,3-dimethylpentan-3-yl)phenyl]-1-[2,6-di(propan-2-yl)phenyl]imidazole;ethane
CID 145383767

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate?
The IUPAC name of methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate (CID 72696305) is methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate?
The canonical SMILES for methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate is COC(=O)c1ccc(-c2nccn2-c2c(C(C)C)cccc2C(C)C)cc1.
What is the InChIKey of methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate?
The InChIKey is MUGSBBJTCRVLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-15(2)19-7-6-8-20(16(3)4)21(19)25-14-13-24-22(25)17-9-11-18(12-10-17)23(26)27-5/h6-16H,1-5H3.
What are the key properties of methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate?
methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate has a molecular weight of 362.47 g/mol, XLogP of 5.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[2,6-di(propan-2-yl)phenyl]imidazol-2-yl]benzoate is sourced from PubChem (CID 72696305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).