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

C30H34F4N4O3S — CID 153388151

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

(5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide (PubChem CID 153388151) has the molecular formula C30H34F4N4O3S and a molecular weight of 606.69 g/mol. Its IUPAC name is (5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide.

Molecular Properties

• Compound Name: (5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide
• PubChem CID: 153388151
• Molecular Formula: C30H34F4N4O3S
• Molecular Weight: 606.69 g/mol
• Exact Mass: 606.23
• IUPAC Name: (5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide
• SMILES: CC(NC(=O)[C@@]1(C)CN=C(C23CC(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)(C2)C3)N1)C1CCC1
• InChI: InChI=1S/C30H34F4N4O3S/c1-19(21-4-3-5-21)36-26(39)27(2)18-35-25(37-27)28-15-29(16-28,17-28)38(42(40,41)24-12-10-23(31)11-13-24)14-20-6-8-22(9-7-20)30(32,33)34/h6-13,19,21H,3-5,14-18H2,1-2H3,(H,35,37)(H,36,39)/t19?,27-,28?,29?/m1/s1
• InChIKey: OUIXRCAZEMNLSE-HTFHWMGOSA-N
• XLogP: 5.02
• TPSA: 90.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	606.69
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide (CID 153388151) is (5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide.

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

The canonical SMILES for (5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide is CC(NC(=O)[C@@]1(C)CN=C(C23CC(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)(C2)C3)N1)C1CCC1.

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

The InChIKey is OUIXRCAZEMNLSE-HTFHWMGOSA-N. The full InChI is InChI=1S/C30H34F4N4O3S/c1-19(21-4-3-5-21)36-26(39)27(2)18-35-25(37-27)28-15-29(16-28,17-28)38(42(40,41)24-12-10-23(31)11-13-24)14-20-6-8-22(9-7-20)30(32,33)34/h6-13,19,21H,3-5,14-18H2,1-2H3,(H,35,37)(H,36,39)/t19?,27-,28?,29?/m1/s1.

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

(5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide has a molecular weight of 606.69 g/mol, XLogP of 5.02, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-N-(1-cyclobutylethyl)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-1,4-dihydroimidazole-5-carboxamide is sourced from PubChem (CID 153388151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).