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

C23H29ClN6O4 — CID 122672869

IUPAC1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(C2CCC(C(=O)Nc3cc(N4CCOCC4)ccc3Cl)CC2)c1C(N)=O
InChIInChI=1S/C23H29ClN6O4/c1-26-23(33)19-20(21(25)31)30(13-27-19)15-4-2-14(3-5-15)22(32)28-18-12-16(6-7-17(18)24)29-8-10-34-11-9-29/h6-7,12-15H,2-5,8-11H2,1H3,(H2,25,31)(H,26,33)(H,28,32)
InChIKeyXVYRNMVOBBAKDP-UHFFFAOYSA-N
MW488.98 g/mol
LogP2.20
Rot. Bonds6

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

1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide (PubChem CID 122672869) has the molecular formula C23H29ClN6O4 and a molecular weight of 488.98 g/mol. Its IUPAC name is 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide
PubChem CID122672869
Molecular FormulaC23H29ClN6O4
Molecular Weight488.98 g/mol
Exact Mass488.19
IUPAC Name1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide
SMILESCNC(=O)c1ncn(C2CCC(C(=O)Nc3cc(N4CCOCC4)ccc3Cl)CC2)c1C(N)=O
InChIInChI=1S/C23H29ClN6O4/c1-26-23(33)19-20(21(25)31)30(13-27-19)15-4-2-14(3-5-15)22(32)28-18-12-16(6-7-17(18)24)29-8-10-34-11-9-29/h6-7,12-15H,2-5,8-11H2,1H3,(H2,25,31)(H,26,33)(H,28,32)
InChIKeyXVYRNMVOBBAKDP-UHFFFAOYSA-N
XLogP2.20
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.98
LogP ≤ 52.20
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-(2,2,2-trifluoroethyl)imidazole-4,5-dicarboxamide
CID 122672839
1-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-4-N-[[(2R)-oxolan-2-yl]methyl]imidazole-4,5-dicarboxamide
CID 122672367
5-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-(2,2,2-trifluoroethyl)-1,2-dihydroimidazole-4,5-dicarboxamide
CID 151832526
6-(cyclopropanecarbonylamino)-N-methyl-4-morpholin-4-ylpyridazine-3-carboxamide
CID 170919609
N-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-(4,4,4-trifluorobutanoyl)-1H-imidazole-5-carboxamide
CID 159598169
1-[(1S,4S)-4-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2-difluorocyclohexyl]-5-N-methylimidazole-4,5-dicarboxamide
CID 122672852
4-(methylamino)-N-(4-morpholin-4-ylphenyl)cyclohexane-1-carboxamide
CID 71040468
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

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide (CID 122672869) is 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide is 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-methylimidazole-4,5-dicarboxamide?
The InChIKey is XVYRNMVOBBAKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O4/c1-26-23(33)19-20(21(25)31)30(13-27-19)15-4-2-14(3-5-15)22(32)28-18-12-16(6-7-17(18)24)29-8-10-34-11-9-29/h6-7,12-15H,2-5,8-11H2,1H3,(H2,25,31)(H,26,33)(H,28,32).
What are the key properties of 1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide?
1-[4-[(2-chloro-5-morpholin-4-ylphenyl)carbamoyl]cyclohexyl]-4-N-methylimidazole-4,5-dicarboxamide has a molecular weight of 488.98 g/mol, XLogP of 2.20, 6 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-methylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).