5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide

C24H30ClFN6O4 — CID 122672530

IUPAC5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N(CCN1CCOCC1)C1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C24H30ClFN6O4/c25-18-13-16(26)3-6-19(18)30-23(34)15-1-4-17(5-2-15)32(8-7-31-9-11-36-12-10-31)24(35)21-20(22(27)33)28-14-29-21/h3,6,13-15,17H,1-2,4-5,7-12H2,(H2,27,33)(H,28,29)(H,30,34)
InChIKeyWYIUCQBXVZNGEE-UHFFFAOYSA-N
MW520.99 g/mol
LogP2.27
Rot. Bonds8

About 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide

5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 122672530) has the molecular formula C24H30ClFN6O4 and a molecular weight of 520.99 g/mol. Its IUPAC name is 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID122672530
Molecular FormulaC24H30ClFN6O4
Molecular Weight520.99 g/mol
Exact Mass520.20
IUPAC Name5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N(CCN1CCOCC1)C1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C24H30ClFN6O4/c25-18-13-16(26)3-6-19(18)30-23(34)15-1-4-17(5-2-15)32(8-7-31-9-11-36-12-10-31)24(35)21-20(22(27)33)28-14-29-21/h3,6,13-15,17H,1-2,4-5,7-12H2,(H2,27,33)(H,28,29)(H,30,34)
InChIKeyWYIUCQBXVZNGEE-UHFFFAOYSA-N
XLogP2.27
TPSA133.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.99
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122672337
5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide
CID 122672638
5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 122672490
5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
CID 122672364
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679352
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
CID 134556662
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 122672567
4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 122672313
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
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
1-[(1S,4S)-4-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2-difluorocyclohexyl]-5-N-methylimidazole-4,5-dicarboxamide
CID 122672852

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide (CID 122672530) is 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide is NC(=O)c1nc[nH]c1C(=O)N(CCN1CCOCC1)C1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is WYIUCQBXVZNGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30ClFN6O4/c25-18-13-16(26)3-6-19(18)30-23(34)15-1-4-17(5-2-15)32(8-7-31-9-11-36-12-10-31)24(35)21-20(22(27)33)28-14-29-21/h3,6,13-15,17H,1-2,4-5,7-12H2,(H2,27,33)(H,28,29)(H,30,34).
What are the key properties of 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 520.99 g/mol, XLogP of 2.27, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).