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

C20H23ClFN5O3 — CID 122679352

IUPAC4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C20H23ClFN5O3/c1-2-23-19(29)16-17(25-10-24-16)20(30)26-13-6-3-11(4-7-13)18(28)27-15-8-5-12(22)9-14(15)21/h5,8-11,13H,2-4,6-7H2,1H3,(H,23,29)(H,24,25)(H,26,30)(H,27,28)
InChIKeyNQUSDHZQOKYXJG-UHFFFAOYSA-N
MW435.89 g/mol
LogP2.88
Rot. Bonds6

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

4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 122679352) has the molecular formula C20H23ClFN5O3 and a molecular weight of 435.89 g/mol. Its IUPAC name is 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
PubChem CID122679352
Molecular FormulaC20H23ClFN5O3
Molecular Weight435.89 g/mol
Exact Mass435.15
IUPAC Name4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C20H23ClFN5O3/c1-2-23-19(29)16-17(25-10-24-16)20(30)26-13-6-3-11(4-7-13)18(28)27-15-8-5-12(22)9-14(15)21/h5,8-11,13H,2-4,6-7H2,1H3,(H,23,29)(H,24,25)(H,26,30)(H,27,28)
InChIKeyNQUSDHZQOKYXJG-UHFFFAOYSA-N
XLogP2.88
TPSA115.98 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.89
LogP ≤ 52.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Related Compounds

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
5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122672337
N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-4-propanoyl-1H-imidazole-5-carboxamide
CID 147419778
5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 122672490
methyl 4-[[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]carbamoyl]-1,3-oxazole-5-carboxylate
CID 122672310
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-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide
CID 122672530
5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679290
4-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 122672313
N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122672769

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide (CID 122679352) is 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide is CCNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is NQUSDHZQOKYXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN5O3/c1-2-23-19(29)16-17(25-10-24-16)20(30)26-13-6-3-11(4-7-13)18(28)27-15-8-5-12(22)9-14(15)21/h5,8-11,13H,2-4,6-7H2,1H3,(H,23,29)(H,24,25)(H,26,30)(H,27,28).
What are the key properties of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 435.89 g/mol, XLogP of 2.88, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122679352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).