1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea

C97H126N20O16S5 — CID 158534005

IUPAC1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.CC(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CC1CCCO1.Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1
InChIInChI=1S/C22H28N4O4S.C20H26N4O3S.C19H24N4O3S.C19H28N4O3S.C17H20N4O3S/c1-14-23-20(13-26(14)12-17-7-4-10-30-17)31(28,29)25-22(27)24-21-18-8-2-5-15(18)11-16-6-3-9-19(16)21;1-12(2)19-21-17(11-24(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)23-10-17(20-11-23)27(25,26)22-19(24)21-18-15-7-3-5-13(15)9-14-6-4-8-16(14)18;1-12(2)15-8-7-9-16(13(3)4)18(15)21-19(24)22-27(25,26)17-10-23(11-20-17)14(5)6;1-21-9-15(18-10-21)25(23,24)20-17(22)19-16-13-6-2-4-11(13)8-12-5-3-7-14(12)16/h11,13,17H,2-10,12H2,1H3,(H2,24,25,27);10-12H,4-9H2,1-3H3,(H2,22,23,25);9-12H,3-8H2,1-2H3,(H2,21,22,24);7-14H,1-6H3,(H2,21,22,24);8-10H,2-7H2,1H3,(H2,19,20,22)
InChIKeyHNSKRSJZPZCPCY-UHFFFAOYSA-N
MW1988.53 g/mol
LogP14.97
Rot. Bonds22

About 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea

1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea (PubChem CID 158534005) has the molecular formula C97H126N20O16S5 and a molecular weight of 1988.53 g/mol. Its IUPAC name is 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea.

Molecular Properties

Compound Name1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea
PubChem CID158534005
Molecular FormulaC97H126N20O16S5
Molecular Weight1988.53 g/mol
Exact Mass1986.83
IUPAC Name1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea
SMILESCC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.CC(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CC1CCCO1.Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1
InChIInChI=1S/C22H28N4O4S.C20H26N4O3S.C19H24N4O3S.C19H28N4O3S.C17H20N4O3S/c1-14-23-20(13-26(14)12-17-7-4-10-30-17)31(28,29)25-22(27)24-21-18-8-2-5-15(18)11-16-6-3-9-19(16)21;1-12(2)19-21-17(11-24(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)23-10-17(20-11-23)27(25,26)22-19(24)21-18-15-7-3-5-13(15)9-14-6-4-8-16(14)18;1-12(2)15-8-7-9-16(13(3)4)18(15)21-19(24)22-27(25,26)17-10-23(11-20-17)14(5)6;1-21-9-15(18-10-21)25(23,24)20-17(22)19-16-13-6-2-4-11(13)8-12-5-3-7-14(12)16/h11,13,17H,2-10,12H2,1H3,(H2,24,25,27);10-12H,4-9H2,1-3H3,(H2,22,23,25);9-12H,3-8H2,1-2H3,(H2,21,22,24);7-14H,1-6H3,(H2,21,22,24);8-10H,2-7H2,1H3,(H2,19,20,22)
InChIKeyHNSKRSJZPZCPCY-UHFFFAOYSA-N
XLogP14.97
TPSA474.68 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds22
Heavy Atoms138
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001988.53
LogP ≤ 514.97
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea?
The IUPAC name of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea (CID 158534005) is 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea.
What is the SMILES notation for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea?
The canonical SMILES for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea is CC(C)c1cccc(C(C)C)c1NC(=O)NS(=O)(=O)c1cn(C(C)C)cn1.CC(C)c1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1C.CC(C)n1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.Cc1nc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)cn1CC1CCCO1.Cn1cnc(S(=O)(=O)NC(=O)Nc2c3c(cc4c2CCC4)CCC3)c1.
What is the InChIKey of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea?
The InChIKey is HNSKRSJZPZCPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O4S.C20H26N4O3S.C19H24N4O3S.C19H28N4O3S.C17H20N4O3S/c1-14-23-20(13-26(14)12-17-7-4-10-30-17)31(28,29)25-22(27)24-21-18-8-2-5-15(18)11-16-6-3-9-19(16)21;1-12(2)19-21-17(11-24(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)23-10-17(20-11-23)27(25,26)22-19(24)21-18-15-7-3-5-13(15)9-14-6-4-8-16(14)18;1-12(2)15-8-7-9-16(13(3)4)18(15)21-19(24)22-27(25,26)17-10-23(11-20-17)14(5)6;1-21-9-15(18-10-21)25(23,24)20-17(22)19-16-13-6-2-4-11(13)8-12-5-3-7-14(12)16/h11,13,17H,2-10,12H2,1H3,(H2,24,25,27);10-12H,4-9H2,1-3H3,(H2,22,23,25);9-12H,3-8H2,1-2H3,(H2,21,22,24);7-14H,1-6H3,(H2,21,22,24);8-10H,2-7H2,1H3,(H2,19,20,22).
What are the key properties of 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea?
1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea has a molecular weight of 1988.53 g/mol, XLogP of 14.97, 22 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-di(propan-2-yl)phenyl]-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[2-methyl-1-(oxolan-2-ylmethyl)imidazol-4-yl]sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-methyl-2-propan-2-ylimidazol-4-yl)sulfonylurea;1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-(1-propan-2-ylimidazol-4-yl)sulfonylurea is sourced from PubChem (CID 158534005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).