1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

C20H24BrClFN3O4S — CID 146286761

IUPAC1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(Br)c(F)c1
InChIInChI=1S/C20H24BrClFN3O4S/c1-3-16-25-17(18(22)26(16)12-4-5-14(21)15(23)10-12)19(27)24-11-20(28)8-6-13(7-9-20)31(2,29)30/h4-5,10,13,28H,3,6-9,11H2,1-2H3,(H,24,27)
InChIKeyVMJQFSMECYPMPC-UHFFFAOYSA-N
MW536.85 g/mol
LogP3.44
Rot. Bonds6

About 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 146286761) has the molecular formula C20H24BrClFN3O4S and a molecular weight of 536.85 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
PubChem CID146286761
Molecular FormulaC20H24BrClFN3O4S
Molecular Weight536.85 g/mol
Exact Mass535.03
IUPAC Name1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
SMILESCCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(Br)c(F)c1
InChIInChI=1S/C20H24BrClFN3O4S/c1-3-16-25-17(18(22)26(16)12-4-5-14(21)15(23)10-12)19(27)24-11-20(28)8-6-13(7-9-20)31(2,29)30/h4-5,10,13,28H,3,6-9,11H2,1-2H3,(H,24,27)
InChIKeyVMJQFSMECYPMPC-UHFFFAOYSA-N
XLogP3.44
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500536.85
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide 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

ethyl 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethylimidazole-4-carboxylate
CID 146286624
5-chloro-1-[2,6-difluoro-4-(3,3,3-trifluoro-2-methylpropyl)phenyl]-2-ethyl-N-[(1-hydroxy-4-methylcyclohexyl)methyl]imidazole-4-carboxamide
CID 153296346
1-(4-butyl-2-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;1-(4-butyl-2-fluorophenyl)-5-chloro-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-1-[4-(2,2-dimethylpropyl)-2-fluorophenyl]-2-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-2-ethyl-1-[2-fluoro-4-(2-methylpropyl)phenyl]-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;5-chloro-2-ethyl-1-[2-fluoro-4-(2-methylpropyl)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide;2-ethyl-1-(2-fluoro-4-propylphenyl)-4-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4,5-dicarboxamide
CID 167642153
methyl 5-amino-1-(4-bromo-3-fluorophenyl)-2-ethylimidazole-4-carboxylate
CID 103545657
1-[3-(difluoromethoxy)-5-(4,4,4-trifluorobutyl)-2-pyridinyl]-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]-5-methylimidazole-4-carboxamide
CID 146286742
5-chloro-2-ethyl-1-[2-methoxy-4-(2,2,2-trifluoroethylamino)phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
CID 146286639
2-[[4-(4-bromo-3-fluorophenyl)-5-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid
CID 65436581
4-bromo-3-fluoro-N-[(1-hydroxycyclohexyl)methyl]benzamide
CID 64865903
4-(4-bromo-3-fluorophenyl)-3-chloro-5-methyl-1,2,4-triazole
CID 65437027
4-bromo-3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]benzamide
CID 79039692
4-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]-2-fluorobenzamide
CID 65123638
4-chloro-5-[2-(difluoromethoxy)-4-[1-(trifluoromethyl)cyclopropanecarbonyl]phenyl]-1-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146287576

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (CID 146286761) is 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2(O)CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(Br)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
The InChIKey is VMJQFSMECYPMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24BrClFN3O4S/c1-3-16-25-17(18(22)26(16)12-4-5-14(21)15(23)10-12)19(27)24-11-20(28)8-6-13(7-9-20)31(2,29)30/h4-5,10,13,28H,3,6-9,11H2,1-2H3,(H,24,27).
What are the key properties of 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?
1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 536.85 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-5-chloro-2-ethyl-N-[(1-hydroxy-4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).