5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide

C24H30ClF3N6O4 — CID 151832526

IUPAC5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide
SMILESNC(=O)C1(C2CCC(C(=O)Nc3cc(N4CCOCC4)ccc3Cl)CC2)NCN=C1C(=O)NCC(F)(F)F
InChIInChI=1S/C24H30ClF3N6O4/c25-17-6-5-16(34-7-9-38-10-8-34)11-18(17)33-20(35)14-1-3-15(4-2-14)24(22(29)37)19(31-13-32-24)21(36)30-12-23(26,27)28/h5-6,11,14-15,32H,1-4,7-10,12-13H2,(H2,29,37)(H,30,36)(H,33,35)
InChIKeySEYPHJRNZPLBBR-UHFFFAOYSA-N
MW558.99 g/mol
LogP1.83
Rot. Bonds7

About 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide

5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide (PubChem CID 151832526) has the molecular formula C24H30ClF3N6O4 and a molecular weight of 558.99 g/mol. Its IUPAC name is 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide
PubChem CID151832526
Molecular FormulaC24H30ClF3N6O4
Molecular Weight558.99 g/mol
Exact Mass558.20
IUPAC Name5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide
SMILESNC(=O)C1(C2CCC(C(=O)Nc3cc(N4CCOCC4)ccc3Cl)CC2)NCN=C1C(=O)NCC(F)(F)F
InChIInChI=1S/C24H30ClF3N6O4/c25-17-6-5-16(34-7-9-38-10-8-34)11-18(17)33-20(35)14-1-3-15(4-2-14)24(22(29)37)19(31-13-32-24)21(36)30-12-23(26,27)28/h5-6,11,14-15,32H,1-4,7-10,12-13H2,(H2,29,37)(H,30,36)(H,33,35)
InChIKeySEYPHJRNZPLBBR-UHFFFAOYSA-N
XLogP1.83
TPSA138.15 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.99
LogP ≤ 51.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide with MolForge

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Related Compounds

1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide
CID 122672839
5-[4-[(2-chloro-4,5-difluorophenyl)carbamoyl]cyclohexyl]-4-N-(oxolan-2-ylmethyl)-1,2-dihydroimidazole-4,5-dicarboxamide
CID 150279288
1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide
CID 122672514
N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide
CID 159598169
1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 122672869
2-chloro-N-(2-chloro-5-morpholin-4-ylphenyl)acetamide
CID 43822469
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152284
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228686
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide?
The IUPAC name of 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide (CID 151832526) is 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide?
The canonical SMILES for 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide is NC(=O)C1(C2CCC(C(=O)Nc3cc(N4CCOCC4)ccc3Cl)CC2)NCN=C1C(=O)NCC(F)(F)F.
What is the InChIKey of 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide?
The InChIKey is SEYPHJRNZPLBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClF3N6O4/c25-17-6-5-16(34-7-9-38-10-8-34)11-18(17)33-20(35)14-1-3-15(4-2-14)24(22(29)37)19(31-13-32-24)21(36)30-12-23(26,27)28/h5-6,11,14-15,32H,1-4,7-10,12-13H2,(H2,29,37)(H,30,36)(H,33,35).
What are the key properties of 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide?
5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide has a molecular weight of 558.99 g/mol, XLogP of 1.83, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide is sourced from PubChem (CID 151832526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).