lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane

C100H99AlBrLiN20O9 — CID 159000865

About lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane

lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane (PubChem CID 159000865) has the molecular formula C100H99AlBrLiN20O9 and a molecular weight of 1838.85 g/mol. Its IUPAC name is lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane.

Molecular Properties

• Compound Name: lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane
• PubChem CID: 159000865
• Molecular Formula: C100H99AlBrLiN20O9
• Molecular Weight: 1838.85 g/mol
• Exact Mass: 1836.71
• IUPAC Name: lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane
• SMILES: BrCc1cccc2cccnc12.C1CCOC1.CCOC(=O)c1ccc2c(c1)nc(N)n2Cc1cccc2cccnc12.CCOC(=O)c1ccc2nc(N)[nH]c2c1.CCOC(=O)c1ccc2nc(N)n(Cc3cccc4cccnc34)c2c1.Nc1nc2cc(CO)ccc2n1Cc1cccc2cccnc12.Nc1nc2ccc(CO)cc2n1Cc1cccc2cccnc12.[AlH3].[H-].[Li+]
• InChI: InChI=1S/2C20H18N4O2.2C18H16N4O.C10H8BrN.C10H11N3O2.C4H8O.Al.Li.4H/c1-2-26-19(25)14-8-9-17-16(11-14)23-20(21)24(17)12-15-6-3-5-13-7-4-10-22-18(13)15;1-2-26-19(25)14-8-9-16-17(11-14)24(20(21)23-16)12-15-6-3-5-13-7-4-10-22-18(13)15;19-18-21-15-9-12(11-23)6-7-16(15)22(18)10-14-4-1-3-13-5-2-8-20-17(13)14;19-18-21-15-7-6-12(11-23)9-16(15)22(18)10-14-4-1-3-13-5-2-8-20-17(13)14;11-7-9-4-1-3-8-5-2-6-12-10(8)9;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-2-4-5-3-1;;;;;;/h2*3-11H,2,12H2,1H3,(H2,21,23);2*1-9,23H,10-11H2,(H2,19,21);1-6H,7H2;3-5H,2H2,1H3,(H3,11,12,13);1-4H2;;;;;;/q;;;;;;;;+1;;;;-1
• InChIKey: XHGRCYLQOGZOLO-UHFFFAOYSA-N
• XLogP: 13.38
• TPSA: 423.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 28
• Rotatable Bonds: 17
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1838.85
LogP ≤ 5	13.38
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane?

The IUPAC name of lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane (CID 159000865) is lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane.

What is the SMILES notation for lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane?

The canonical SMILES for lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane is BrCc1cccc2cccnc12.C1CCOC1.CCOC(=O)c1ccc2c(c1)nc(N)n2Cc1cccc2cccnc12.CCOC(=O)c1ccc2nc(N)[nH]c2c1.CCOC(=O)c1ccc2nc(N)n(Cc3cccc4cccnc34)c2c1.Nc1nc2cc(CO)ccc2n1Cc1cccc2cccnc12.Nc1nc2ccc(CO)cc2n1Cc1cccc2cccnc12.[AlH3].[H-].[Li+].

What is the InChIKey of lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane?

The InChIKey is XHGRCYLQOGZOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18N4O2.2C18H16N4O.C10H8BrN.C10H11N3O2.C4H8O.Al.Li.4H/c1-2-26-19(25)14-8-9-17-16(11-14)23-20(21)24(17)12-15-6-3-5-13-7-4-10-22-18(13)15;1-2-26-19(25)14-8-9-16-17(11-14)24(20(21)23-16)12-15-6-3-5-13-7-4-10-22-18(13)15;19-18-21-15-9-12(11-23)6-7-16(15)22(18)10-14-4-1-3-13-5-2-8-20-17(13)14;19-18-21-15-7-6-12(11-23)9-16(15)22(18)10-14-4-1-3-13-5-2-8-20-17(13)14;11-7-9-4-1-3-8-5-2-6-12-10(8)9;1-2-15-9(14)6-3-4-7-8(5-6)13-10(11)12-7;1-2-4-5-3-1;;;;;;/h2*3-11H,2,12H2,1H3,(H2,21,23);2*1-9,23H,10-11H2,(H2,19,21);1-6H,7H2;3-5H,2H2,1H3,(H3,11,12,13);1-4H2;;;;;;/q;;;;;;;;+1;;;;-1.

What are the key properties of lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane?

lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane has a molecular weight of 1838.85 g/mol, XLogP of 13.38, 17 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;alumane;[2-amino-1-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;[2-amino-3-(quinolin-8-ylmethyl)benzimidazol-5-yl]methanol;8-(bromomethyl)quinoline;ethyl 2-amino-3H-benzimidazole-5-carboxylate;ethyl 2-amino-1-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;ethyl 2-amino-3-(quinolin-8-ylmethyl)benzimidazole-5-carboxylate;hydride;oxolane is sourced from PubChem (CID 159000865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).