methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate

C19H18N2O2 — CID 156703614

IUPACmethyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C19H18N2O2/c1-12-9-10-15(11-13(12)2)16-17(19(22)23-3)21-18(20-16)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,20,21)
InChIKeyCQVIHGDCKVYNJE-UHFFFAOYSA-N
MW306.37 g/mol
LogP4.15
Rot. Bonds3

About methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate

methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate (PubChem CID 156703614) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
PubChem CID156703614
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Namemethyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate
SMILESCOC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccc(C)c(C)c1
InChIInChI=1S/C19H18N2O2/c1-12-9-10-15(11-13(12)2)16-17(19(22)23-3)21-18(20-16)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,20,21)
InChIKeyCQVIHGDCKVYNJE-UHFFFAOYSA-N
XLogP4.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-(3-chlorophenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 156703620
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
ethyl 4-(2-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605551
methyl 5-chloro-2-phenyl-1H-imidazole-4-carboxylate
CID 69111578
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
ethyl 2-phenyl-4-pyridin-3-yl-1H-imidazole-5-carboxylate
CID 44605735
bis(carbon dioxide);dimethyl 4-(3,4-dimethylphenyl)benzene-1,2-dicarboxylate;dimethyl 4-phenylbenzene-1,2-dicarboxylate
CID 169430001
methyl 5-(3,4-dimethylphenyl)-2H-triazole-4-carboxylate
CID 121003420
4-(3,4-dimethylphenyl)-2-phenyl-1H-pyrimidin-6-one
CID 136692457
methyl 2-phenyl-4-piperidin-1-yl-1H-imidazole-5-carboxylate
CID 625236

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The IUPAC name of methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate (CID 156703614) is methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate.
What is the SMILES notation for methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The canonical SMILES for methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate is COC(=O)c1[nH]c(-c2ccccc2)nc1-c1ccc(C)c(C)c1.
What is the InChIKey of methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate?
The InChIKey is CQVIHGDCKVYNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-12-9-10-15(11-13(12)2)16-17(19(22)23-3)21-18(20-16)14-7-5-4-6-8-14/h4-11H,1-3H3,(H,20,21).
What are the key properties of methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate?
methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate has a molecular weight of 306.37 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3,4-dimethylphenyl)-2-phenyl-1H-imidazole-5-carboxylate is sourced from PubChem (CID 156703614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).