5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide

C25H24ClF2N5O3 — CID 118419258

IUPAC5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N(CCC1CCCC1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C25H24ClF2N5O3/c26-18-12-20(28)19(27)11-17(18)24(35)32-15-5-7-16(8-6-15)33(10-9-14-3-1-2-4-14)25(36)22-21(23(29)34)30-13-31-22/h5-8,11-14H,1-4,9-10H2,(H2,29,34)(H,30,31)(H,32,35)
InChIKeyCZKRHETVBDWFLY-UHFFFAOYSA-N
MW515.95 g/mol
LogP4.92
Rot. Bonds8

About 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide

5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 118419258) has the molecular formula C25H24ClF2N5O3 and a molecular weight of 515.95 g/mol. Its IUPAC name is 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID118419258
Molecular FormulaC25H24ClF2N5O3
Molecular Weight515.95 g/mol
Exact Mass515.15
IUPAC Name5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N(CCC1CCCC1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1
InChIInChI=1S/C25H24ClF2N5O3/c26-18-12-20(28)19(27)11-17(18)24(35)32-15-5-7-16(8-6-15)33(10-9-14-3-1-2-4-14)25(36)22-21(23(29)34)30-13-31-22/h5-8,11-14H,1-4,9-10H2,(H2,29,34)(H,30,31)(H,32,35)
InChIKeyCZKRHETVBDWFLY-UHFFFAOYSA-N
XLogP4.92
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.95
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-N-[4-[(2-chloro-4-fluorobenzoyl)amino]phenyl]-5-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1H-imidazole-4,5-dicarboxamide
CID 118419053
4-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118424117
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-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
5-N-[4-[(2-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419525
N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-(6-methyl-2,6-diazaspiro[3.3]heptane-2-carbonyl)-1H-imidazole-4-carboxamide
CID 118419405
5-N-[4-[(4-chlorobenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419632
5-N-tert-butyl-5-N-[4-[(4-fluorobenzoyl)amino]phenyl]-1H-imidazole-4,5-dicarboxamide
CID 118419627
5-N-[4-[(3-fluoro-4-methylbenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419065
2-chloro-N-[4-(dimethylamino)phenyl]-4,5-difluorobenzamide
CID 78776354
5-N-[4-[(2-hydroxybenzoyl)amino]phenyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 118419301

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide (CID 118419258) is 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide is NC(=O)c1nc[nH]c1C(=O)N(CCC1CCCC1)c1ccc(NC(=O)c2cc(F)c(F)cc2Cl)cc1.
What is the InChIKey of 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is CZKRHETVBDWFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClF2N5O3/c26-18-12-20(28)19(27)11-17(18)24(35)32-15-5-7-16(8-6-15)33(10-9-14-3-1-2-4-14)25(36)22-21(23(29)34)30-13-31-22/h5-8,11-14H,1-4,9-10H2,(H2,29,34)(H,30,31)(H,32,35).
What are the key properties of 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 515.95 g/mol, XLogP of 4.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(2-chloro-4,5-difluorobenzoyl)amino]phenyl]-5-N-(2-cyclopentylethyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 118419258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).