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

C25H28ClF3N4O4S — CID 146294193

IUPAC(4R)-2-[3-[(4-chlorophenyl)methyl-(furan-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide
SMILESCC1(C)NC(C23CC(N(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccco4)(C2)C3)=N[C@H]1C(=O)NCCC(F)(F)F
InChIInChI=1S/C25H28ClF3N4O4S/c1-22(2)19(20(34)30-10-9-25(27,28)29)31-21(32-22)23-13-24(14-23,15-23)33(12-16-5-7-17(26)8-6-16)38(35,36)18-4-3-11-37-18/h3-8,11,19H,9-10,12-15H2,1-2H3,(H,30,34)(H,31,32)/t19-,23?,24?/m0/s1
InChIKeyHQOWBUMUYPTHCM-HLJPNSHOSA-N
MW573.04 g/mol
LogP4.26
Rot. Bonds9

About (4R)-2-[3-[(4-chlorophenyl)methyl-(furan-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-(furan-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide (PubChem CID 146294193) has the molecular formula C25H28ClF3N4O4S and a molecular weight of 573.04 g/mol. Its IUPAC name is (4R)-2-[3-[(4-chlorophenyl)methyl-(furan-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-(furan-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide
PubChem CID146294193
Molecular FormulaC25H28ClF3N4O4S
Molecular Weight573.04 g/mol
Exact Mass572.15
IUPAC Name(4R)-2-[3-[(4-chlorophenyl)methyl-(furan-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide
SMILESCC1(C)NC(C23CC(N(Cc4ccc(Cl)cc4)S(=O)(=O)c4ccco4)(C2)C3)=N[C@H]1C(=O)NCCC(F)(F)F
InChIInChI=1S/C25H28ClF3N4O4S/c1-22(2)19(20(34)30-10-9-25(27,28)29)31-21(32-22)23-13-24(14-23,15-23)33(12-16-5-7-17(26)8-6-16)38(35,36)18-4-3-11-37-18/h3-8,11,19H,9-10,12-15H2,1-2H3,(H,30,34)(H,31,32)/t19-,23?,24?/m0/s1
InChIKeyHQOWBUMUYPTHCM-HLJPNSHOSA-N
XLogP4.26
TPSA104.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.04
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[(4-chlorophenyl)methyl-(furan-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-(furan-2-ylsulfonyl)amino]-1-bicyclo[1.1.1]pentanyl]-5,5-dimethyl-N-(3,3,3-trifluoropropyl)-1,4-dihydroimidazole-4-carboxamide (CID 146294193) is (4R)-2-[3-[(4-chlorophenyl)methyl-(furan-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-(furan-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-(furan-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)c4ccco4)(C2)C3)=N[C@H]1C(=O)NCCC(F)(F)F.
What is the InChIKey of (4R)-2-[3-[(4-chlorophenyl)methyl-(furan-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 HQOWBUMUYPTHCM-HLJPNSHOSA-N. The full InChI is InChI=1S/C25H28ClF3N4O4S/c1-22(2)19(20(34)30-10-9-25(27,28)29)31-21(32-22)23-13-24(14-23,15-23)33(12-16-5-7-17(26)8-6-16)38(35,36)18-4-3-11-37-18/h3-8,11,19H,9-10,12-15H2,1-2H3,(H,30,34)(H,31,32)/t19-,23?,24?/m0/s1.
What are the key properties of (4R)-2-[3-[(4-chlorophenyl)methyl-(furan-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-(furan-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 573.04 g/mol, XLogP of 4.26, 9 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-(furan-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 146294193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).