4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide

C22H22FN5O3 — CID 118419725

IUPAC4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN5O3/c1-13(2)11-24-21(30)18-19(26-12-25-18)22(31)28-17-9-7-16(8-10-17)27-20(29)14-3-5-15(23)6-4-14/h3-10,12-13H,11H2,1-2H3,(H,24,30)(H,25,26)(H,27,29)(H,28,31)
InChIKeyLXJNKYDHGZAGAG-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.44
Rot. Bonds7

About 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide

4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419725) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID118419725
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCC(C)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C22H22FN5O3/c1-13(2)11-24-21(30)18-19(26-12-25-18)22(31)28-17-9-7-16(8-10-17)27-20(29)14-3-5-15(23)6-4-14/h3-10,12-13H,11H2,1-2H3,(H,24,30)(H,25,26)(H,27,29)(H,28,31)
InChIKeyLXJNKYDHGZAGAG-UHFFFAOYSA-N
XLogP3.44
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-hydroxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 118419689
5-N-benzyl-4-N-(4-fluorophenyl)-1H-imidazole-4,5-dicarboxamide
CID 4736415
5-N-ethyl-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide
CID 144936571
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-[2-methyl-1-(4-methylpiperazin-1-yl)propan-2-yl]-1H-imidazole-4,5-dicarboxamide
CID 118419463
4-N-[4-[(4-methoxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424134
5-N-(2,2-dimethylpropyl)-4-N-[4-(methylamino)phenyl]-1H-imidazole-4,5-dicarboxamide;4-fluorobenzaldehyde
CID 144936548
ethyl 4-[[5-[[(2S)-1-hydroxypropan-2-yl]carbamoyl]-1H-imidazole-4-carbonyl]amino]benzoate
CID 46904173
5-N-[2-(azetidin-1-yl)ethyl]-4-N-[4-[2-(4-fluorophenyl)-2-oxoethyl]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 160796157
5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419627
1-(4-fluorophenyl)-3-(2-methylpropyl)urea
CID 17390126
4-N,5-N-bis(4-ethoxyphenyl)-1H-imidazole-4,5-dicarboxamide
CID 22331411
4-N-[4-[(3,5-dichlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 123530024

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide (CID 118419725) is 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide is CC(C)CNC(=O)c1[nH]cnc1C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is LXJNKYDHGZAGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c1-13(2)11-24-21(30)18-19(26-12-25-18)22(31)28-17-9-7-16(8-10-17)27-20(29)14-3-5-15(23)6-4-14/h3-10,12-13H,11H2,1-2H3,(H,24,30)(H,25,26)(H,27,29)(H,28,31).
What are the key properties of 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 423.45 g/mol, XLogP of 3.44, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(4-fluorobenzoyl)amino]phenyl]-5-N-(2-methylpropyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).