1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate

C75H85N9O9 — CID 159447030

About 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate

1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate (PubChem CID 159447030) has the molecular formula C75H85N9O9 and a molecular weight of 1256.56 g/mol. Its IUPAC name is 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate.

Molecular Properties

• Compound Name: 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
• PubChem CID: 159447030
• Molecular Formula: C75H85N9O9
• Molecular Weight: 1256.56 g/mol
• Exact Mass: 1255.65
• IUPAC Name: 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)CCC1(CCN(Cc3nc4ccccc4[nH]3)C1)C2.COC(=O)c1ccc2c(c1)CCC1(CCNC1)C2.COC(=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NO)c1ccc2c(c1)CCC1(CCN(Cc3nc4ccccc4[nH]3)C1)C2
• InChI: InChI=1S/C23H25N3O2.C22H24N4O2.C15H17NO3.C15H19NO2/c1-28-22(27)17-6-7-18-13-23(9-8-16(18)12-17)10-11-26(15-23)14-21-24-19-4-2-3-5-20(19)25-21;27-21(25-28)16-5-6-17-12-22(8-7-15(17)11-16)9-10-26(14-22)13-20-23-18-3-1-2-4-19(18)24-20;1-19-13(17)11-2-3-12-9-15(5-4-10(12)8-11)6-7-16-14(15)18;1-18-14(17)12-2-3-13-9-15(6-7-16-10-15)5-4-11(13)8-12/h2-7,12H,8-11,13-15H2,1H3,(H,24,25);1-6,11,28H,7-10,12-14H2,(H,23,24)(H,25,27);2-3,8H,4-7,9H2,1H3,(H,16,18);2-3,8,16H,4-7,9-10H2,1H3
• InChIKey: LSWQADOIQWFEAT-UHFFFAOYSA-N
• XLogP: 10.20
• TPSA: 233.20 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1256.56
LogP ≤ 5	10.20
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?

The IUPAC name of 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate (CID 159447030) is 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate.

What is the SMILES notation for 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?

The canonical SMILES for 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate is COC(=O)c1ccc2c(c1)CCC1(CCN(Cc3nc4ccccc4[nH]3)C1)C2.COC(=O)c1ccc2c(c1)CCC1(CCNC1)C2.COC(=O)c1ccc2c(c1)CCC1(CCNC1=O)C2.O=C(NO)c1ccc2c(c1)CCC1(CCN(Cc3nc4ccccc4[nH]3)C1)C2.

What is the InChIKey of 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?

The InChIKey is LSWQADOIQWFEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.C22H24N4O2.C15H17NO3.C15H19NO2/c1-28-22(27)17-6-7-18-13-23(9-8-16(18)12-17)10-11-26(15-23)14-21-24-19-4-2-3-5-20(19)25-21;27-21(25-28)16-5-6-17-12-22(8-7-15(17)11-16)9-10-26(14-22)13-20-23-18-3-1-2-4-19(18)24-20;1-19-13(17)11-2-3-12-9-15(5-4-10(12)8-11)6-7-16-14(15)18;1-18-14(17)12-2-3-13-9-15(6-7-16-10-15)5-4-11(13)8-12/h2-7,12H,8-11,13-15H2,1H3,(H,24,25);1-6,11,28H,7-10,12-14H2,(H,23,24)(H,25,27);2-3,8H,4-7,9H2,1H3,(H,16,18);2-3,8,16H,4-7,9-10H2,1H3.

What are the key properties of 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate?

1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate has a molecular weight of 1256.56 g/mol, XLogP of 10.20, 8 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-(1H-benzimidazol-2-ylmethyl)-N-hydroxyspiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxamide;methyl 1'-(1H-benzimidazol-2-ylmethyl)spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate;methyl spiro[7,8-dihydro-5H-naphthalene-6,3'-pyrrolidine]-2-carboxylate is sourced from PubChem (CID 159447030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).