tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate

C23H25N3O3 — CID 143493764

IUPACtert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate
SMILESCc1nc(NC(=O)Cc2ccccc2)c(C(=O)OC(C)(C)C)n1-c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-16-24-21(25-19(27)15-17-11-7-5-8-12-17)20(22(28)29-23(2,3)4)26(16)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3,(H,25,27)
InChIKeyVUHDMYQEKWJWAV-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.32
Rot. Bonds5

About tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate

tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate (PubChem CID 143493764) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate
PubChem CID143493764
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Nametert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate
SMILESCc1nc(NC(=O)Cc2ccccc2)c(C(=O)OC(C)(C)C)n1-c1ccccc1
InChIInChI=1S/C23H25N3O3/c1-16-24-21(25-19(27)15-17-11-7-5-8-12-17)20(22(28)29-23(2,3)4)26(16)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3,(H,25,27)
InChIKeyVUHDMYQEKWJWAV-UHFFFAOYSA-N
XLogP4.32
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 5-[(2-chlorobenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate
CID 23634074
ethane;(1-methoxy-2-methylpropan-2-yl) 5-(3,4-dihydro-2H-chromene-2-carbonylamino)-2-methyl-3-phenylimidazole-4-carboxylate
CID 143159296
tert-butyl N-[4-[(2-phenylacetyl)amino]phenyl]carbamate
CID 54013674
tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate
CID 23633360
N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 18576711
tert-butyl N-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]carbamate
CID 52903782
tert-butyl 5-[[2-(4-chlorophenoxy)pyridine-3-carbonyl]amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate
CID 23634225
N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-2-phenylacetamide
CID 21043279
N-(5-acetyl-2,6-dimethylpyrimidin-4-yl)-2-phenylacetamide
CID 873978
N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-(3-methylphenyl)acetamide
CID 7294959
ethyl 3-benzyl-5-(2,2-dimethylpropanoylamino)-2-methylsulfanylimidazole-4-carboxylate
CID 59303117
N-[4-(6,7-difluoro-2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-phenylacetamide
CID 171649584

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate?
The IUPAC name of tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate (CID 143493764) is tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate is Cc1nc(NC(=O)Cc2ccccc2)c(C(=O)OC(C)(C)C)n1-c1ccccc1.
What is the InChIKey of tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate?
The InChIKey is VUHDMYQEKWJWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-24-21(25-19(27)15-17-11-7-5-8-12-17)20(22(28)29-23(2,3)4)26(16)18-13-9-6-10-14-18/h5-14H,15H2,1-4H3,(H,25,27).
What are the key properties of tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate?
tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate is sourced from PubChem (CID 143493764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).