lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane

C106H131AlBrLiN30O10 — CID 160501285

About lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane

lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane (PubChem CID 160501285) has the molecular formula C106H131AlBrLiN30O10 and a molecular weight of 2099.24 g/mol. Its IUPAC name is lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane.

Molecular Properties

• Compound Name: lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane
• PubChem CID: 160501285
• Molecular Formula: C106H131AlBrLiN30O10
• Molecular Weight: 2099.24 g/mol
• Exact Mass: 2096.98
• IUPAC Name: lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane
• SMILES: C1CCOC1.CCOC(=O)c1ccc2c(c1)nc(N)n2Cc1nc(C)c(C)nc1C.CCOC(=O)c1ccc2nc(N)[nH]c2c1.CCOC(=O)c1ccc2nc(N)n(Cc3nc(C)c(C)nc3C)c2c1.Cc1nc(C)c(CBr)nc1C.Cc1nc(C)c(Cn2c(N)nc3cc(CO)ccc32)nc1C.Cc1nc(C)c(Cn2c(N)nc3ccc(C=O)cc32)nc1C.Cc1nc(C)c(Cn2c(N)nc3ccc(CO)cc32)nc1C.[AlH3].[H-].[Li+]
• InChI: InChI=1S/2C18H21N5O2.2C16H19N5O.C16H17N5O.C10H11N3O2.C8H11BrN2.C4H8O.Al.Li.4H/c1-5-25-17(24)13-6-7-16-14(8-13)22-18(19)23(16)9-15-12(4)20-10(2)11(3)21-15;1-5-25-17(24)13-6-7-14-16(8-13)23(18(19)22-14)9-15-12(4)20-10(2)11(3)21-15;1-9-10(2)19-14(11(3)18-9)7-21-15-5-4-12(8-22)6-13(15)20-16(21)17;2*1-9-10(2)19-14(11(3)18-9)7-21-15-6-12(8-22)4-5-13(15)20-16(21)17;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-5-6(2)11-8(4-9)7(3)10-5;1-2-4-5-3-1;;;;;;/h2*6-8H,5,9H2,1-4H3,(H2,19,22);2*4-6,22H,7-8H2,1-3H3,(H2,17,20);4-6,8H,7H2,1-3H3,(H2,17,20);3-5H,2H2,1H3,(H3,11,12,13);4H2,1-3H3;1-4H2;;;;;;/q;;;;;;;;;+1;;;;-1
• InChIKey: KPWOYMVOIRLOFD-UHFFFAOYSA-N
• XLogP: 11.41
• TPSA: 574.24 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 39
• Rotatable Bonds: 20
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2099.24
LogP ≤ 5	11.41
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane?

The IUPAC name of lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane (CID 160501285) is lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane.

What is the SMILES notation for lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane?

The canonical SMILES for lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane is C1CCOC1.CCOC(=O)c1ccc2c(c1)nc(N)n2Cc1nc(C)c(C)nc1C.CCOC(=O)c1ccc2nc(N)[nH]c2c1.CCOC(=O)c1ccc2nc(N)n(Cc3nc(C)c(C)nc3C)c2c1.Cc1nc(C)c(CBr)nc1C.Cc1nc(C)c(Cn2c(N)nc3cc(CO)ccc32)nc1C.Cc1nc(C)c(Cn2c(N)nc3ccc(C=O)cc32)nc1C.Cc1nc(C)c(Cn2c(N)nc3ccc(CO)cc32)nc1C.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane?

The InChIKey is KPWOYMVOIRLOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H21N5O2.2C16H19N5O.C16H17N5O.C10H11N3O2.C8H11BrN2.C4H8O.Al.Li.4H/c1-5-25-17(24)13-6-7-16-14(8-13)22-18(19)23(16)9-15-12(4)20-10(2)11(3)21-15;1-5-25-17(24)13-6-7-14-16(8-13)23(18(19)22-14)9-15-12(4)20-10(2)11(3)21-15;1-9-10(2)19-14(11(3)18-9)7-21-15-5-4-12(8-22)6-13(15)20-16(21)17;2*1-9-10(2)19-14(11(3)18-9)7-21-15-6-12(8-22)4-5-13(15)20-16(21)17;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-5-6(2)11-8(4-9)7(3)10-5;1-2-4-5-3-1;;;;;;/h2*6-8H,5,9H2,1-4H3,(H2,19,22);2*4-6,22H,7-8H2,1-3H3,(H2,17,20);4-6,8H,7H2,1-3H3,(H2,17,20);3-5H,2H2,1H3,(H3,11,12,13);4H2,1-3H3;1-4H2;;;;;;/q;;;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane?

lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane has a molecular weight of 2099.24 g/mol, XLogP of 11.41, 20 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carbaldehyde;[2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;[2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazol-5-yl]methanol;2-(bromomethyl)-3,5,6-trimethylpyrazine;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;ethyl 2-amino-3-[(3,5,6-trimethylpyrazin-2-yl)methyl]benzimidazole-5-carboxylate;hydride;oxolane is sourced from PubChem (CID 160501285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).