(4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide

C25H29ClF3N5O3S — CID 172878851

About (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide

(4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide (PubChem CID 172878851) has the molecular formula C25H29ClF3N5O3S and a molecular weight of 572.05 g/mol. Its IUPAC name is (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide
• PubChem CID: 172878851
• Molecular Formula: C25H29ClF3N5O3S
• Molecular Weight: 572.05 g/mol
• Exact Mass: 571.16
• IUPAC Name: (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide
• SMILES: CC1(C)NC(C23CC(N(Cc4ccc(Cl)cc4)S(=O)(=O)C4=NC=CC4)(C2)C3)=N[C@H]1C(=O)NCCC(F)(F)F
• InChI: InChI=1S/C25H29ClF3N5O3S/c1-22(2)19(20(35)31-11-9-25(27,28)29)32-21(33-22)23-13-24(14-23,15-23)34(12-16-5-7-17(26)8-6-16)38(36,37)18-4-3-10-30-18/h3,5-8,10,19H,4,9,11-15H2,1-2H3,(H,31,35)(H,32,33)/t19-,23?,24?/m0/s1
• InChIKey: WQBYLFBTSXZRKF-HLJPNSHOSA-N
• XLogP: 3.93
• TPSA: 103.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	572.05
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide?

The IUPAC name of (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide (CID 172878851) is (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide.

What is the SMILES notation for (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide?

The canonical SMILES for (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide is CC1(C)NC(C23CC(N(Cc4ccc(Cl)cc4)S(=O)(=O)C4=NC=CC4)(C2)C3)=N[C@H]1C(=O)NCCC(F)(F)F.

What is the InChIKey of (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide?

The InChIKey is WQBYLFBTSXZRKF-HLJPNSHOSA-N. The full InChI is InChI=1S/C25H29ClF3N5O3S/c1-22(2)19(20(35)31-11-9-25(27,28)29)32-21(33-22)23-13-24(14-23,15-23)34(12-16-5-7-17(26)8-6-16)38(36,37)18-4-3-10-30-18/h3,5-8,10,19H,4,9,11-15H2,1-2H3,(H,31,35)(H,32,33)/t19-,23?,24?/m0/s1.

What are the key properties of (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide?

(4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide has a molecular weight of 572.05 g/mol, XLogP of 3.93, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[3-[(4-chlorophenyl)methyl-(3H-pyrrol-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide is sourced from PubChem (CID 172878851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).