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

C29H34F4N4O3S — CID 146294144

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

2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide (PubChem CID 146294144) has the molecular formula C29H34F4N4O3S and a molecular weight of 594.68 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide
• PubChem CID: 146294144
• Molecular Formula: C29H34F4N4O3S
• Molecular Weight: 594.68 g/mol
• Exact Mass: 594.23
• IUPAC Name: 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide
• SMILES: CCCC1(C(=O)NC(C)C)CN=C(C23CC(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)(C2)C3)N1
• InChI: InChI=1S/C29H34F4N4O3S/c1-4-13-28(25(38)35-19(2)3)18-34-24(36-28)26-15-27(16-26,17-26)37(41(39,40)23-11-9-22(30)10-12-23)14-20-5-7-21(8-6-20)29(31,32)33/h5-12,19H,4,13-18H2,1-3H3,(H,34,36)(H,35,38)
• InChIKey: NZIFEQFYYPHFAL-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 90.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	594.68
LogP ≤ 5	5.02
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]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide?

The IUPAC name of 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide (CID 146294144) is 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide.

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

The canonical SMILES for 2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide is CCCC1(C(=O)NC(C)C)CN=C(C23CC(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)(C2)C3)N1.

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

The InChIKey is NZIFEQFYYPHFAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F4N4O3S/c1-4-13-28(25(38)35-19(2)3)18-34-24(36-28)26-15-27(16-26,17-26)37(41(39,40)23-11-9-22(30)10-12-23)14-20-5-7-21(8-6-20)29(31,32)33/h5-12,19H,4,13-18H2,1-3H3,(H,34,36)(H,35,38).

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

2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide has a molecular weight of 594.68 g/mol, XLogP of 5.02, 10 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]-N-propan-2-yl-5-propyl-1,4-dihydroimidazole-5-carboxamide is sourced from PubChem (CID 146294144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).