lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole

C105H118FI2LiN32O8 — CID 160925119

About lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole

lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole (PubChem CID 160925119) has the molecular formula C105H118FI2LiN32O8 and a molecular weight of 2237.07 g/mol. Its IUPAC name is lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole.

Molecular Properties

• Compound Name: lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole
• PubChem CID: 160925119
• Molecular Formula: C105H118FI2LiN32O8
• Molecular Weight: 2237.07 g/mol
• Exact Mass: 2235.81
• IUPAC Name: lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole
• SMILES: Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)cn1CC(=O)N1CCc2n[nH]nc2C1.Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)cn1CC(=O)N1CCc2n[nH]nc2C1.Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)cn1CC(=O)OC(C)(C)C.Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)cn1CC(=O)[O-].Cc1nc(I)cn1CC(=O)OC(C)(C)C.Cc1ncc(I)[nH]1.[2H]CF.[Li+]
• InChI: InChI=1S/2C24H25N9O.C23H27N5O2.C19H19N5O2.C10H15IN2O2.C4H5IN2.CH3F.Li/c2*1-15-27-21(12-33(15)14-23(34)32-7-6-20-22(13-32)30-31-29-20)18-10-25-24(26-11-18)28-19-8-16-4-2-3-5-17(16)9-19;1-15-26-20(13-28(15)14-21(29)30-23(2,3)4)18-11-24-22(25-12-18)27-19-9-16-7-5-6-8-17(16)10-19;1-12-22-17(10-24(12)11-18(25)26)15-8-20-19(21-9-15)23-16-6-13-4-2-3-5-14(13)7-16;1-7-12-8(11)5-13(7)6-9(14)15-10(2,3)4;1-3-6-2-4(5)7-3;1-2;/h2*2-5,10-12,19H,6-9,13-14H2,1H3,(H,25,26,28)(H,29,30,31);5-8,11-13,19H,9-10,14H2,1-4H3,(H,24,25,27);2-5,8-10,16H,6-7,11H2,1H3,(H,25,26)(H,20,21,23);5H,6H2,1-4H3;2H,1H3,(H,6,7);1H3;/q;;;;;;;+1/p-1/i;;;;;;1D
• InChIKey: OYNZSRUADRBKEM-IDEIXCOCSA-M
• XLogP: 9.46
• TPSA: 485.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2237.07
LogP ≤ 5	9.46
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole?

The IUPAC name of lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole (CID 160925119) is lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole.

What is the SMILES notation for lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole?

The canonical SMILES for lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole is Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)cn1CC(=O)N1CCc2n[nH]nc2C1.Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)cn1CC(=O)N1CCc2n[nH]nc2C1.Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)cn1CC(=O)OC(C)(C)C.Cc1nc(-c2cnc(NC3Cc4ccccc4C3)nc2)cn1CC(=O)[O-].Cc1nc(I)cn1CC(=O)OC(C)(C)C.Cc1ncc(I)[nH]1.[2H]CF.[Li+].

What is the InChIKey of lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole?

The InChIKey is OYNZSRUADRBKEM-IDEIXCOCSA-M. The full InChI is InChI=1S/2C24H25N9O.C23H27N5O2.C19H19N5O2.C10H15IN2O2.C4H5IN2.CH3F.Li/c2*1-15-27-21(12-33(15)14-23(34)32-7-6-20-22(13-32)30-31-29-20)18-10-25-24(26-11-18)28-19-8-16-4-2-3-5-17(16)9-19;1-15-26-20(13-28(15)14-21(29)30-23(2,3)4)18-11-24-22(25-12-18)27-19-9-16-7-5-6-8-17(16)10-19;1-12-22-17(10-24(12)11-18(25)26)15-8-20-19(21-9-15)23-16-6-13-4-2-3-5-14(13)7-16;1-7-12-8(11)5-13(7)6-9(14)15-10(2,3)4;1-3-6-2-4(5)7-3;1-2;/h2*2-5,10-12,19H,6-9,13-14H2,1H3,(H,25,26,28)(H,29,30,31);5-8,11-13,19H,9-10,14H2,1-4H3,(H,24,25,27);2-5,8-10,16H,6-7,11H2,1H3,(H,25,26)(H,20,21,23);5H,6H2,1-4H3;2H,1H3,(H,6,7);1H3;/q;;;;;;;+1/p-1/i;;;;;;1D;.

What are the key properties of lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole?

lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole has a molecular weight of 2237.07 g/mol, XLogP of 9.46, 22 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;tert-butyl 2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;tert-butyl 2-(4-iodo-2-methylimidazol-1-yl)acetate;deuterio(fluoro)methane;2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]acetate;bis(2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-2-methylimidazol-1-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone);5-iodo-2-methyl-1H-imidazole is sourced from PubChem (CID 160925119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).