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

C26H35ClN6O5 — CID 122672514

IUPAC1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide
SMILESCC(C)(O)CNC(=O)c1ncn(C2CCC(C(=O)Nc3cc(N4CCOCC4)ccc3Cl)CC2)c1C(N)=O
InChIInChI=1S/C26H35ClN6O5/c1-26(2,37)14-29-25(36)21-22(23(28)34)33(15-30-21)17-5-3-16(4-6-17)24(35)31-20-13-18(7-8-19(20)27)32-9-11-38-12-10-32/h7-8,13,15-17,37H,3-6,9-12,14H2,1-2H3,(H2,28,34)(H,29,36)(H,31,35)
InChIKeyLHZITNOKENMWFN-UHFFFAOYSA-N
MW547.06 g/mol
LogP2.34
Rot. Bonds8

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

1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide (PubChem CID 122672514) has the molecular formula C26H35ClN6O5 and a molecular weight of 547.06 g/mol. Its IUPAC name is 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide
PubChem CID122672514
Molecular FormulaC26H35ClN6O5
Molecular Weight547.06 g/mol
Exact Mass546.24
IUPAC Name1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide
SMILESCC(C)(O)CNC(=O)c1ncn(C2CCC(C(=O)Nc3cc(N4CCOCC4)ccc3Cl)CC2)c1C(N)=O
InChIInChI=1S/C26H35ClN6O5/c1-26(2,37)14-29-25(36)21-22(23(28)34)33(15-30-21)17-5-3-16(4-6-17)24(35)31-20-13-18(7-8-19(20)27)32-9-11-38-12-10-32/h7-8,13,15-17,37H,3-6,9-12,14H2,1-2H3,(H2,28,34)(H,29,36)(H,31,35)
InChIKeyLHZITNOKENMWFN-UHFFFAOYSA-N
XLogP2.34
TPSA151.81 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500547.06
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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
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
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-morpholin-4-ylphenyl)-2-methylbenzamide
CID 110362732
6-(2-chloro-5-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 171909100
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
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
methyl 4-chloro-3-[(4-morpholin-4-ylpyridine-2-carbonyl)amino]benzoate
CID 109206683

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide (CID 122672514) is 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide is CC(C)(O)CNC(=O)c1ncn(C2CCC(C(=O)Nc3cc(N4CCOCC4)ccc3Cl)CC2)c1C(N)=O.
What is the InChIKey of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide?
The InChIKey is LHZITNOKENMWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35ClN6O5/c1-26(2,37)14-29-25(36)21-22(23(28)34)33(15-30-21)17-5-3-16(4-6-17)24(35)31-20-13-18(7-8-19(20)27)32-9-11-38-12-10-32/h7-8,13,15-17,37H,3-6,9-12,14H2,1-2H3,(H2,28,34)(H,29,36)(H,31,35).
What are the key properties of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide?
1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide has a molecular weight of 547.06 g/mol, XLogP of 2.34, 8 rotatable bonds, 4 hydrogen bond donors, and 8 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-hydroxy-2-methylpropyl)imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).