5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

C24H32ClF3N4O4S — CID 146286540

About 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide

5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (PubChem CID 146286540) has the molecular formula C24H32ClF3N4O4S and a molecular weight of 565.06 g/mol. Its IUPAC name is 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
• PubChem CID: 146286540
• Molecular Formula: C24H32ClF3N4O4S
• Molecular Weight: 565.06 g/mol
• Exact Mass: 564.18
• IUPAC Name: 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide
• SMILES: CCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC
• InChI: InChI=1S/C24H32ClF3N4O4S/c1-5-20-31-21(23(33)29-13-15-6-9-17(10-7-15)37(4,34)35)22(25)32(20)18-11-8-16(12-19(18)36-3)30-14(2)24(26,27)28/h8,11-12,14-15,17,30H,5-7,9-10,13H2,1-4H3,(H,29,33)/t14-,15?,17?/m1/s1
• InChIKey: HQDKZLAMBLTVHE-HPUBIQBYSA-N
• XLogP: 4.79
• TPSA: 102.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	565.06
LogP ≤ 5	4.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?

The IUPAC name of 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide (CID 146286540) is 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide.

What is the SMILES notation for 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?

The canonical SMILES for 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is CCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC.

What is the InChIKey of 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?

The InChIKey is HQDKZLAMBLTVHE-HPUBIQBYSA-N. The full InChI is InChI=1S/C24H32ClF3N4O4S/c1-5-20-31-21(23(33)29-13-15-6-9-17(10-7-15)37(4,34)35)22(25)32(20)18-11-8-16(12-19(18)36-3)30-14(2)24(26,27)28/h8,11-12,14-15,17,30H,5-7,9-10,13H2,1-4H3,(H,29,33)/t14-,15?,17?/m1/s1.

What are the key properties of 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide?

5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide has a molecular weight of 565.06 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-2-ethyl-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 146286540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).