tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate

C25H30N4O5 — CID 23633360

IUPACtert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate
SMILESCOc1ccc(C(=O)Nc2nc(N(C)C)n(-c3ccccc3)c2C(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C25H30N4O5/c1-25(2,3)34-23(31)20-21(26-22(30)18-14-13-17(32-6)15-19(18)33-7)27-24(28(4)5)29(20)16-11-9-8-10-12-16/h8-15H,1-7H3,(H,26,30)
InChIKeyPQXKQMKAAACFJC-UHFFFAOYSA-N
MW466.54 g/mol
LogP4.16
Rot. Bonds7

About tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate

tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate (PubChem CID 23633360) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate
PubChem CID23633360
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Nametert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate
SMILESCOc1ccc(C(=O)Nc2nc(N(C)C)n(-c3ccccc3)c2C(=O)OC(C)(C)C)c(OC)c1
InChIInChI=1S/C25H30N4O5/c1-25(2,3)34-23(31)20-21(26-22(30)18-14-13-17(32-6)15-19(18)33-7)27-24(28(4)5)29(20)16-11-9-8-10-12-16/h8-15H,1-7H3,(H,26,30)
InChIKeyPQXKQMKAAACFJC-UHFFFAOYSA-N
XLogP4.16
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

tert-butyl 2,4-dimethoxybenzoate
CID 63897355
N-(2-iodophenyl)-2,4-dimethoxybenzamide
CID 3340182
2,4-dimethoxy-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 17274693
2,4-dimethoxy-N-(2-phenylphenyl)benzamide
CID 26727528
ethyl 2-[(2,4-dimethoxybenzoyl)amino]benzoate
CID 5149682
tert-butyl 2-methyl-3-phenyl-5-[(2-phenylacetyl)amino]imidazole-4-carboxylate
CID 143493764
2,4-dimethoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 5163949
2,4-dimethoxy-N-(2-piperidin-1-ylphenyl)benzamide
CID 6457289
5-tert-butyl-N-(4-methoxyphenyl)-2-methyl-1-phenylpyrrole-3-carboxamide
CID 2742300
2,4-dimethoxy-N-(3-phenyl-1,8-naphthyridin-2-yl)benzamide
CID 42111217
(2S)-2-[(2,4-dimethoxybenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61145178
tert-butyl 2-(2,4-dimethoxyphenyl)-2-oxoacetate
CID 102421540

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate?
The IUPAC name of tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate (CID 23633360) is tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate.
What is the SMILES notation for tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate?
The canonical SMILES for tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate is COc1ccc(C(=O)Nc2nc(N(C)C)n(-c3ccccc3)c2C(=O)OC(C)(C)C)c(OC)c1.
What is the InChIKey of tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate?
The InChIKey is PQXKQMKAAACFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-25(2,3)34-23(31)20-21(26-22(30)18-14-13-17(32-6)15-19(18)33-7)27-24(28(4)5)29(20)16-11-9-8-10-12-16/h8-15H,1-7H3,(H,26,30).
What are the key properties of tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate?
tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[(2,4-dimethoxybenzoyl)amino]-2-(dimethylamino)-3-phenylimidazole-4-carboxylate is sourced from PubChem (CID 23633360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).