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

C20H20ClF4N5O3 — CID 122672638

IUPAC5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N(CC(F)(F)F)C1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C20H20ClF4N5O3/c21-13-7-11(22)3-6-14(13)29-18(32)10-1-4-12(5-2-10)30(8-20(23,24)25)19(33)16-15(17(26)31)27-9-28-16/h3,6-7,9-10,12H,1-2,4-5,8H2,(H2,26,31)(H,27,28)(H,29,32)
InChIKeyKJYYIUYZZPOMJJ-UHFFFAOYSA-N
MW489.86 g/mol
LogP3.50
Rot. Bonds6

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

5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 122672638) has the molecular formula C20H20ClF4N5O3 and a molecular weight of 489.86 g/mol. Its IUPAC name is 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID122672638
Molecular FormulaC20H20ClF4N5O3
Molecular Weight489.86 g/mol
Exact Mass489.12
IUPAC Name5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide
SMILESNC(=O)c1nc[nH]c1C(=O)N(CC(F)(F)F)C1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C20H20ClF4N5O3/c21-13-7-11(22)3-6-14(13)29-18(32)10-1-4-12(5-2-10)30(8-20(23,24)25)19(33)16-15(17(26)31)27-9-28-16/h3,6-7,9-10,12H,1-2,4-5,8H2,(H2,26,31)(H,27,28)(H,29,32)
InChIKeyKJYYIUYZZPOMJJ-UHFFFAOYSA-N
XLogP3.50
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.86
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 122672490
5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-morpholin-4-ylethyl)-1H-imidazole-4,5-dicarboxamide
CID 122672530
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679352
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-(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
2-[(2-chloro-4-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978336
1-[(1S,4S)-4-[(2-chloro-4-fluorophenyl)carbamoyl]-2,2-difluorocyclohexyl]-5-N-methylimidazole-4,5-dicarboxamide
CID 122672852
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-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-4-N-[[(2R)-oxolan-2-yl]methyl]imidazole-4,5-dicarboxamide
CID 122672367

Frequently Asked Questions

What is the IUPAC name of 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide (CID 122672638) is 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide is NC(=O)c1nc[nH]c1C(=O)N(CC(F)(F)F)C1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1.
What is the InChIKey of 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is KJYYIUYZZPOMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClF4N5O3/c21-13-7-11(22)3-6-14(13)29-18(32)10-1-4-12(5-2-10)30(8-20(23,24)25)19(33)16-15(17(26)31)27-9-28-16/h3,6-7,9-10,12H,1-2,4-5,8H2,(H2,26,31)(H,27,28)(H,29,32).
What are the key properties of 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide?
5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 489.86 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).