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

C22H27ClFN5O4 — CID 134556662

IUPAC4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOC(C)CNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C22H27ClFN5O4/c1-12(33-2)10-25-21(31)18-19(27-11-26-18)22(32)28-15-6-3-13(4-7-15)20(30)29-17-8-5-14(24)9-16(17)23/h5,8-9,11-13,15H,3-4,6-7,10H2,1-2H3,(H,25,31)(H,26,27)(H,28,32)(H,29,30)
InChIKeyYISICTCDJOYQJH-UHFFFAOYSA-N
MW479.94 g/mol
LogP2.89
Rot. Bonds8

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

4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide (PubChem CID 134556662) has the molecular formula C22H27ClFN5O4 and a molecular weight of 479.94 g/mol. Its IUPAC name is 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
PubChem CID134556662
Molecular FormulaC22H27ClFN5O4
Molecular Weight479.94 g/mol
Exact Mass479.17
IUPAC Name4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
SMILESCOC(C)CNC(=O)c1[nH]cnc1C(=O)NC1CCC(C(=O)Nc2ccc(F)cc2Cl)CC1
InChIInChI=1S/C22H27ClFN5O4/c1-12(33-2)10-25-21(31)18-19(27-11-26-18)22(32)28-15-6-3-13(4-7-15)20(30)29-17-8-5-14(24)9-16(17)23/h5,8-9,11-13,15H,3-4,6-7,10H2,1-2H3,(H,25,31)(H,26,27)(H,28,32)(H,29,30)
InChIKeyYISICTCDJOYQJH-UHFFFAOYSA-N
XLogP2.89
TPSA125.21 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.94
LogP ≤ 52.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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]-2-methylcyclohexyl]-5-N-methyl-1H-imidazole-4,5-dicarboxamide
CID 122672567
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-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-(2,2,2-trifluoroethyl)-1H-imidazole-4,5-dicarboxamide
CID 122672638
5-N-[4-[(2-chloro-4,6-difluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide
CID 122672364
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-amino-N-(2-chloro-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 122672313
5-N-(cyclohexylmethyl)-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 46264337

Frequently Asked Questions

What is the IUPAC name of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide (CID 134556662) is 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide is COC(C)CNC(=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-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide?
The InChIKey is YISICTCDJOYQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClFN5O4/c1-12(33-2)10-25-21(31)18-19(27-11-26-18)22(32)28-15-6-3-13(4-7-15)20(30)29-17-8-5-14(24)9-16(17)23/h5,8-9,11-13,15H,3-4,6-7,10H2,1-2H3,(H,25,31)(H,26,27)(H,28,32)(H,29,30).
What are the key properties of 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide?
4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide has a molecular weight of 479.94 g/mol, XLogP of 2.89, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[4-[(2-chloro-4-fluorophenyl)carbamoyl]cyclohexyl]-5-N-(2-methoxypropyl)-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 134556662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).