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

C25H34ClF3N4O4S — CID 146286546

IUPAC5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC
InChIInChI=1S/C25H34ClF3N4O4S/c1-5-6-21-32-22(24(34)30-14-16-7-10-18(11-8-16)38(4,35)36)23(26)33(21)19-12-9-17(13-20(19)37-3)31-15(2)25(27,28)29/h9,12-13,15-16,18,31H,5-8,10-11,14H2,1-4H3,(H,30,34)/t15-,16?,18?/m1/s1
InChIKeyFJXXISGPTYUIPE-KLHKWILBSA-N
MW579.09 g/mol
LogP5.18
Rot. Bonds10

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

5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide (PubChem CID 146286546) has the molecular formula C25H34ClF3N4O4S and a molecular weight of 579.09 g/mol. Its IUPAC name is 5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide
PubChem CID146286546
Molecular FormulaC25H34ClF3N4O4S
Molecular Weight579.09 g/mol
Exact Mass578.19
IUPAC Name5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCC2CCC(S(C)(=O)=O)CC2)c(Cl)n1-c1ccc(N[C@H](C)C(F)(F)F)cc1OC
InChIInChI=1S/C25H34ClF3N4O4S/c1-5-6-21-32-22(24(34)30-14-16-7-10-18(11-8-16)38(4,35)36)23(26)33(21)19-12-9-17(13-20(19)37-3)31-15(2)25(27,28)29/h9,12-13,15-16,18,31H,5-8,10-11,14H2,1-4H3,(H,30,34)/t15-,16?,18?/m1/s1
InChIKeyFJXXISGPTYUIPE-KLHKWILBSA-N
XLogP5.18
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.09
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

US11345666, Example 5
CID 146286539
US11345666, Example 7
CID 146286541
US11345666, Example 34
CID 146286474
US11345666, Example 42
CID 146286504
US11345666, Example 43
CID 146286505
US11345666, Example 44
CID 146286516
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
US11345666, Example 12
CID 146286543
US11345666, Example 10
CID 146286545
US11345666, Example 13
CID 146286547
US11345666, Example 9
CID 146286552
US11345666, Example 15
CID 146286554

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide?
The IUPAC name of 5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide (CID 146286546) is 5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide.
What is the SMILES notation for 5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide?
The canonical SMILES for 5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide is CCCc1nc(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-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide?
The InChIKey is FJXXISGPTYUIPE-KLHKWILBSA-N. The full InChI is InChI=1S/C25H34ClF3N4O4S/c1-5-6-21-32-22(24(34)30-14-16-7-10-18(11-8-16)38(4,35)36)23(26)33(21)19-12-9-17(13-20(19)37-3)31-15(2)25(27,28)29/h9,12-13,15-16,18,31H,5-8,10-11,14H2,1-4H3,(H,30,34)/t15-,16?,18?/m1/s1.
What are the key properties of 5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide?
5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide has a molecular weight of 579.09 g/mol, XLogP of 5.18, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[2-methoxy-4-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]phenyl]-N-[(4-methylsulfonylcyclohexyl)methyl]-2-propylimidazole-4-carboxamide is sourced from PubChem (CID 146286546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).