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

C24H28ClF3N6O4 — CID 122672839

IUPAC1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide
SMILESNC(=O)c1c(C(=O)NCC(F)(F)F)ncn1C1CCC(C(=O)Nc2cc(N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C24H28ClF3N6O4/c25-17-6-5-16(33-7-9-38-10-8-33)11-18(17)32-22(36)14-1-3-15(4-2-14)34-13-31-19(20(34)21(29)35)23(37)30-12-24(26,27)28/h5-6,11,13-15H,1-4,7-10,12H2,(H2,29,35)(H,30,37)(H,32,36)
InChIKeyIJHPKJZPZAWNGD-UHFFFAOYSA-N
MW556.97 g/mol
LogP3.13
Rot. Bonds7

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

1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide (PubChem CID 122672839) has the molecular formula C24H28ClF3N6O4 and a molecular weight of 556.97 g/mol. Its IUPAC name is 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide
PubChem CID122672839
Molecular FormulaC24H28ClF3N6O4
Molecular Weight556.97 g/mol
Exact Mass556.18
IUPAC Name1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide
SMILESNC(=O)c1c(C(=O)NCC(F)(F)F)ncn1C1CCC(C(=O)Nc2cc(N3CCOCC3)ccc2Cl)CC1
InChIInChI=1S/C24H28ClF3N6O4/c25-17-6-5-16(33-7-9-38-10-8-33)11-18(17)32-22(36)14-1-3-15(4-2-14)34-13-31-19(20(34)21(29)35)23(37)30-12-24(26,27)28/h5-6,11,13-15H,1-4,7-10,12H2,(H2,29,35)(H,30,37)(H,32,36)
InChIKeyIJHPKJZPZAWNGD-UHFFFAOYSA-N
XLogP3.13
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.97
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide
CID 122672514
1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide
CID 122672869
5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide
CID 151832526
1-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-4-N-[[(2R)-oxolan-2-yl]methyl]imidazole-4,5-dicarboxamide
CID 122672367
1-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-4-N-[[(2S)-oxolan-2-yl]methyl]imidazole-4,5-dicarboxamide
CID 122672880
N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide
CID 159598169
2-chloro-N-(2-chloro-5-morpholin-4-ylphenyl)acetamide
CID 43822469
N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-2-carboxamide
CID 109184877
6-(2-chloro-5-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 171909100
N-[2-chloro-5-(trifluoromethyl)phenyl]-1-phenylpiperidine-4-carboxamide
CID 17152284
N-(2-chloro-5-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732
N-(2-chloro-5-morpholin-4-ylphenyl)-2,6-dimethoxybenzamide
CID 110362746

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide (CID 122672839) is 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide is NC(=O)c1c(C(=O)NCC(F)(F)F)ncn1C1CCC(C(=O)Nc2cc(N3CCOCC3)ccc2Cl)CC1.
What is the InChIKey of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide?
The InChIKey is IJHPKJZPZAWNGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28ClF3N6O4/c25-17-6-5-16(33-7-9-38-10-8-33)11-18(17)32-22(36)14-1-3-15(4-2-14)34-13-31-19(20(34)21(29)35)23(37)30-12-24(26,27)28/h5-6,11,13-15H,1-4,7-10,12H2,(H2,29,35)(H,30,37)(H,32,36).
What are the key properties of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide?
1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide has a molecular weight of 556.97 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).