N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide

C31H34F6N4O3S — CID 146294149

About N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide

N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide (PubChem CID 146294149) has the molecular formula C31H34F6N4O3S and a molecular weight of 656.69 g/mol. Its IUPAC name is N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide
• PubChem CID: 146294149
• Molecular Formula: C31H34F6N4O3S
• Molecular Weight: 656.69 g/mol
• Exact Mass: 656.23
• IUPAC Name: N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide
• SMILES: CC1(C)NC(C2CC3(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)CC2C3)=NC1C(=O)NCC1CC(F)(F)C1
• InChI: InChI=1S/C31H34F6N4O3S/c1-28(2)25(27(42)38-16-19-11-30(33,34)12-19)39-26(40-28)24-15-29(13-20(24)14-29)41(45(43,44)23-9-7-22(32)8-10-23)17-18-3-5-21(6-4-18)31(35,36)37/h3-10,19-20,24-25H,11-17H2,1-2H3,(H,38,42)(H,39,40)
• InChIKey: JXQIYVSBJLEISP-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 90.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	656.69
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide?

The IUPAC name of N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide (CID 146294149) is N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide.

What is the SMILES notation for N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide?

The canonical SMILES for N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide is CC1(C)NC(C2CC3(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)CC2C3)=NC1C(=O)NCC1CC(F)(F)C1.

What is the InChIKey of N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide?

The InChIKey is JXQIYVSBJLEISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34F6N4O3S/c1-28(2)25(27(42)38-16-19-11-30(33,34)12-19)39-26(40-28)24-15-29(13-20(24)14-29)41(45(43,44)23-9-7-22(32)8-10-23)17-18-3-5-21(6-4-18)31(35,36)37/h3-10,19-20,24-25H,11-17H2,1-2H3,(H,38,42)(H,39,40).

What are the key properties of N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide?

N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide has a molecular weight of 656.69 g/mol, XLogP of 5.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,3-difluorocyclobutyl)methyl]-2-[4-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-bicyclo[2.1.1]hexanyl]-5,5-dimethyl-1,4-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 146294149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).