1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea

C114H143FN26O18S6 — CID 157072633

IUPAC1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.CC(C)c1ncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1C.CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nc1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C(C)C.Cn1ccnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C20H25FN6O3S.2C20H26N4O3S.C19H24N4O3S.C18H22N4O3S.C17H20N4O3S/c1-12(2)16-6-15(21)7-17(14-8-23-26(5)9-14)19(16)24-20(28)25-31(29,30)18-10-27(11-22-18)13(3)4;1-12(2)19-21-11-17(24(19)3)28(26,27)23-20(25)22-18-15-8-4-6-13(15)10-14-7-5-9-16(14)18;1-12(2)24-11-18(21-13(24)3)28(26,27)23-20(25)22-19-16-8-4-6-14(16)10-15-7-5-9-17(15)19;1-3-23-11-17(20-12(23)2)27(25,26)22-19(24)21-18-15-8-4-6-13(15)10-14-7-5-9-16(14)18;1-11-19-16(10-22(11)2)26(24,25)21-18(23)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17;1-21-9-8-18-17(21)25(23,24)20-16(22)19-15-13-6-2-4-11(13)10-12-5-3-7-14(12)15/h6-13H,1-5H3,(H2,24,25,28);2*10-12H,4-9H2,1-3H3,(H2,22,23,25);10-11H,3-9H2,1-2H3,(H2,21,22,24);9-10H,3-8H2,1-2H3,(H2,20,21,23);8-10H,2-7H2,1H3,(H2,19,20,22)
InChIKeyACPMCDXBUSQIKU-UHFFFAOYSA-N
MW2376.96 g/mol
LogP16.75
Rot. Bonds24

About 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea

1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea (PubChem CID 157072633) has the molecular formula C114H143FN26O18S6 and a molecular weight of 2376.96 g/mol. Its IUPAC name is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea.

Molecular Properties

Compound Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea
PubChem CID157072633
Molecular FormulaC114H143FN26O18S6
Molecular Weight2376.96 g/mol
Exact Mass2374.94
IUPAC Name1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea
SMILESCC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.CC(C)c1ncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1C.CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nc1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C(C)C.Cn1ccnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2
InChIInChI=1S/C20H25FN6O3S.2C20H26N4O3S.C19H24N4O3S.C18H22N4O3S.C17H20N4O3S/c1-12(2)16-6-15(21)7-17(14-8-23-26(5)9-14)19(16)24-20(28)25-31(29,30)18-10-27(11-22-18)13(3)4;1-12(2)19-21-11-17(24(19)3)28(26,27)23-20(25)22-18-15-8-4-6-13(15)10-14-7-5-9-16(14)18;1-12(2)24-11-18(21-13(24)3)28(26,27)23-20(25)22-19-16-8-4-6-14(16)10-15-7-5-9-17(15)19;1-3-23-11-17(20-12(23)2)27(25,26)22-19(24)21-18-15-8-4-6-13(15)10-14-7-5-9-16(14)18;1-11-19-16(10-22(11)2)26(24,25)21-18(23)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17;1-21-9-8-18-17(21)25(23,24)20-16(22)19-15-13-6-2-4-11(13)10-12-5-3-7-14(12)15/h6-13H,1-5H3,(H2,24,25,28);2*10-12H,4-9H2,1-3H3,(H2,22,23,25);10-11H,3-9H2,1-2H3,(H2,21,22,24);9-10H,3-8H2,1-2H3,(H2,20,21,23);8-10H,2-7H2,1H3,(H2,19,20,22)
InChIKeyACPMCDXBUSQIKU-UHFFFAOYSA-N
XLogP16.75
TPSA576.36 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds24
Heavy Atoms165
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002376.96
LogP ≤ 516.75
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea?
The IUPAC name of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea (CID 157072633) is 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea.
What is the SMILES notation for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea?
The canonical SMILES for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea is CC(C)c1cc(F)cc(-c2cnn(C)c2)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.CC(C)c1ncc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)n1C.CCn1cc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)nc1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C(C)C.Cn1ccnc1S(=O)(=O)NC(=O)Nc1c2c(cc3c1CCC3)CCC2.
What is the InChIKey of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea?
The InChIKey is ACPMCDXBUSQIKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN6O3S.2C20H26N4O3S.C19H24N4O3S.C18H22N4O3S.C17H20N4O3S/c1-12(2)16-6-15(21)7-17(14-8-23-26(5)9-14)19(16)24-20(28)25-31(29,30)18-10-27(11-22-18)13(3)4;1-12(2)19-21-11-17(24(19)3)28(26,27)23-20(25)22-18-15-8-4-6-13(15)10-14-7-5-9-16(14)18;1-12(2)24-11-18(21-13(24)3)28(26,27)23-20(25)22-19-16-8-4-6-14(16)10-15-7-5-9-17(15)19;1-3-23-11-17(20-12(23)2)27(25,26)22-19(24)21-18-15-8-4-6-13(15)10-14-7-5-9-16(14)18;1-11-19-16(10-22(11)2)26(24,25)21-18(23)20-17-14-7-3-5-12(14)9-13-6-4-8-15(13)17;1-21-9-8-18-17(21)25(23,24)20-16(22)19-15-13-6-2-4-11(13)10-12-5-3-7-14(12)15/h6-13H,1-5H3,(H2,24,25,28);2*10-12H,4-9H2,1-3H3,(H2,22,23,25);10-11H,3-9H2,1-2H3,(H2,21,22,24);9-10H,3-8H2,1-2H3,(H2,20,21,23);8-10H,2-7H2,1H3,(H2,19,20,22).
What are the key properties of 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea?
1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea has a molecular weight of 2376.96 g/mol, XLogP of 16.75, 24 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-(1-ethyl-2-methylimidazol-4-yl)sulfonyl-3-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)urea;1-[4-fluoro-2-(1-methylpyrazol-4-yl)-6-propan-2-ylphenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-2-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(2-methyl-1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(3-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea is sourced from PubChem (CID 157072633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).