2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide

C28H32F4N4O3S — CID 146294212

About 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide

2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide (PubChem CID 146294212) has the molecular formula C28H32F4N4O3S and a molecular weight of 580.65 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide
• PubChem CID: 146294212
• Molecular Formula: C28H32F4N4O3S
• Molecular Weight: 580.65 g/mol
• Exact Mass: 580.21
• IUPAC Name: 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide
• SMILES: CC(C)NC(=O)C1N=C(C23CC(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)(C2)C3)NC1(C)C
• InChI: InChI=1S/C28H32F4N4O3S/c1-17(2)33-23(37)22-25(3,4)35-24(34-22)26-14-27(15-26,16-26)36(40(38,39)21-11-9-20(29)10-12-21)13-18-5-7-19(8-6-18)28(30,31)32/h5-12,17,22H,13-16H2,1-4H3,(H,33,37)(H,34,35)
• InChIKey: KMFQFMYHMWMVOZ-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 90.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.65
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide?

The IUPAC name of 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide (CID 146294212) is 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide.

What is the SMILES notation for 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide?

The canonical SMILES for 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide is CC(C)NC(=O)C1N=C(C23CC(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)(C2)C3)NC1(C)C.

What is the InChIKey of 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide?

The InChIKey is KMFQFMYHMWMVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F4N4O3S/c1-17(2)33-23(37)22-25(3,4)35-24(34-22)26-14-27(15-26,16-26)36(40(38,39)21-11-9-20(29)10-12-21)13-18-5-7-19(8-6-18)28(30,31)32/h5-12,17,22H,13-16H2,1-4H3,(H,33,37)(H,34,35).

What are the key properties of 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide?

2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide has a molecular weight of 580.65 g/mol, XLogP of 4.63, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-propan-2-yl-1,4-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 146294212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).