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

C30H28F4N4O3S — CID 166725440

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

(5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide (PubChem CID 166725440) has the molecular formula C30H28F4N4O3S and a molecular weight of 600.64 g/mol. Its IUPAC name is (5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide.

Molecular Properties

• Compound Name: (5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide
• PubChem CID: 166725440
• Molecular Formula: C30H28F4N4O3S
• Molecular Weight: 600.64 g/mol
• Exact Mass: 600.18
• IUPAC Name: (5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide
• SMILES: C[C@]1(C(=O)Nc2ccccc2)CN=C(C23CC(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)(C2)C3)N1
• InChI: InChI=1S/C30H28F4N4O3S/c1-27(26(39)36-23-5-3-2-4-6-23)19-35-25(37-27)28-16-29(17-28,18-28)38(42(40,41)24-13-11-22(31)12-14-24)15-20-7-9-21(10-8-20)30(32,33)34/h2-14H,15-19H2,1H3,(H,35,37)(H,36,39)/t27-,28?,29?/m1/s1
• InChIKey: XICBTPKXLJYUFO-JMYZALGVSA-N
• XLogP: 5.36
• TPSA: 90.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	600.64
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide (CID 166725440) is (5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide.

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

The canonical SMILES for (5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide is C[C@]1(C(=O)Nc2ccccc2)CN=C(C23CC(N(Cc4ccc(C(F)(F)F)cc4)S(=O)(=O)c4ccc(F)cc4)(C2)C3)N1.

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

The InChIKey is XICBTPKXLJYUFO-JMYZALGVSA-N. The full InChI is InChI=1S/C30H28F4N4O3S/c1-27(26(39)36-23-5-3-2-4-6-23)19-35-25(37-27)28-16-29(17-28,18-28)38(42(40,41)24-13-11-22(31)12-14-24)15-20-7-9-21(10-8-20)30(32,33)34/h2-14H,15-19H2,1H3,(H,35,37)(H,36,39)/t27-,28?,29?/m1/s1.

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

(5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide has a molecular weight of 600.64 g/mol, XLogP of 5.36, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-2-[3-[(4-fluorophenyl)sulfonyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-methyl-N-phenyl-1,4-dihydroimidazole-5-carboxamide is sourced from PubChem (CID 166725440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).