5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide

C22H22FN5O3 — CID 118419627

IUPAC5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)(C)N(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN5O3/c1-22(2,3)28(21(31)18-17(19(24)29)25-12-26-18)16-10-8-15(9-11-16)27-20(30)13-4-6-14(23)7-5-13/h4-12H,1-3H3,(H2,24,29)(H,25,26)(H,27,30)
InChIKeyRNERZEHFLRIFHW-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.35
Rot. Bonds5

About 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide

5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419627) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
PubChem CID118419627
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)(C)N(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN5O3/c1-22(2,3)28(21(31)18-17(19(24)29)25-12-26-18)16-10-8-15(9-11-16)27-20(30)13-4-6-14(23)7-5-13/h4-12H,1-3H3,(H2,24,29)(H,25,26)(H,27,30)
InChIKeyRNERZEHFLRIFHW-UHFFFAOYSA-N
XLogP3.35
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419632
5-N-[4-[(4-fluoro-3-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419472
5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419065
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
CID 118419725
5-N-[4-[(2-hydroxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419301
5-N-[4-[(3-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419436
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 118419689
5-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419525
5-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[2,2-dimethyl-3-(4-methylpiperazin-1-yl)propyl]-1H-imidazole-4,5-dicarboxamide
CID 118419440
5-N-[4-[(2-chloro-6-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419255
5-N-[4-[(2-chloro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419029
5-N-[4-[(2-chloro-3-methoxybenzoyl)amino]phenyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 118419409

Frequently Asked Questions

What is the IUPAC name of 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide (CID 118419627) is 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide is CC(C)(C)N(C(=O)c1[nH]cnc1C(N)=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
The InChIKey is RNERZEHFLRIFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-22(2,3)28(21(31)18-17(19(24)29)25-12-26-18)16-10-8-15(9-11-16)27-20(30)13-4-6-14(23)7-5-13/h4-12H,1-3H3,(H2,24,29)(H,25,26)(H,27,30).
What are the key properties of 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide?
5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide has a molecular weight of 423.45 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).