benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate

C26H24N2O2 — CID 10272079

IUPACbenzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCc3ccccc3)n(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-9-13-21(14-10-18)23-24(22-15-11-19(2)12-16-22)28(3)25(27-23)26(29)30-17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3
InChIKeySIEQHBLPHYILHG-UHFFFAOYSA-N
MW396.49 g/mol
LogP5.73
Rot. Bonds5

About benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate

benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate (PubChem CID 10272079) has the molecular formula C26H24N2O2 and a molecular weight of 396.49 g/mol. Its IUPAC name is benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate.

Molecular Properties

Compound Namebenzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate
PubChem CID10272079
Molecular FormulaC26H24N2O2
Molecular Weight396.49 g/mol
Exact Mass396.18
IUPAC Namebenzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate
SMILESCc1ccc(-c2nc(C(=O)OCc3ccccc3)n(C)c2-c2ccc(C)cc2)cc1
InChIInChI=1S/C26H24N2O2/c1-18-9-13-21(14-10-18)23-24(22-15-11-19(2)12-16-22)28(3)25(27-23)26(29)30-17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3
InChIKeySIEQHBLPHYILHG-UHFFFAOYSA-N
XLogP5.73
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.49
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

dibenzyl 1-methylimidazole-2,4-dicarboxylate
CID 139429649
5-O-benzyl 3-O-methyl 1-(4-methylphenyl)-1,2,4-triazole-3,5-dicarboxylate
CID 102464991
benzyl 4-amino-3-chloro-5-fluoro-6-(4-methylphenyl)pyridine-2-carboxylate
CID 123351569
benzyl 2-methyl-5-(4-methylphenyl)-1,3-oxazole-4-carboxylate
CID 139762946
benzyl 3-phenylquinoxaline-2-carboxylate
CID 132508697
benzyl 1-(4-methylphenyl)sulfonyl-5-phenyltriazole-4-carboxylate
CID 134944847
dibenzyl 4,5-dimethylimidazole-1,2-dicarboxylate
CID 134511478
benzyl 2-(4-methylphenyl)sulfanylacetate
CID 162405759
1-methyl-2-[4-(1-methyl-4,5-diphenylimidazol-2-yl)phenyl]-4,5-diphenylimidazole
CID 102256803
benzyl 4-[(4-methylphenyl)diazenyl]benzoate
CID 155439607
benzyl 3,5-dimethylbenzoate
CID 54359872
dibenzyl 5-methyltriazole-2,4-dicarboxylate
CID 134511510

Frequently Asked Questions

What is the IUPAC name of benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate?
The IUPAC name of benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate (CID 10272079) is benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate.
What is the SMILES notation for benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate?
The canonical SMILES for benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate is Cc1ccc(-c2nc(C(=O)OCc3ccccc3)n(C)c2-c2ccc(C)cc2)cc1.
What is the InChIKey of benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate?
The InChIKey is SIEQHBLPHYILHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O2/c1-18-9-13-21(14-10-18)23-24(22-15-11-19(2)12-16-22)28(3)25(27-23)26(29)30-17-20-7-5-4-6-8-20/h4-16H,17H2,1-3H3.
What are the key properties of benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate?
benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate has a molecular weight of 396.49 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 1-methyl-4,5-bis(4-methylphenyl)imidazole-2-carboxylate is sourced from PubChem (CID 10272079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).