ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C76H72N10O5 — CID 159628632

About ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 159628632) has the molecular formula C76H72N10O5 and a molecular weight of 1205.48 g/mol. Its IUPAC name is ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
• PubChem CID: 159628632
• Molecular Formula: C76H72N10O5
• Molecular Weight: 1205.48 g/mol
• Exact Mass: 1204.57
• IUPAC Name: ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
• SMILES: CCO.Nc1cc2ccccc2cc1N.O=C(C(=O)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)c1ccccc1.O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5ccccc5cc4nc3-c3ccccc3)cc2)CC1
• InChI: InChI=1S/C37H31N5O.C27H25N3O3.C10H10N2.C2H6O/c43-37-40-31-12-6-7-13-34(31)42(37)30-18-20-41(21-19-30)24-25-14-16-27(17-15-25)36-35(26-8-2-1-3-9-26)38-32-22-28-10-4-5-11-29(28)23-33(32)39-36;31-25(20-6-2-1-3-7-20)26(32)21-12-10-19(11-13-21)18-29-16-14-22(15-17-29)30-24-9-5-4-8-23(24)28-27(30)33;11-9-5-7-3-1-2-4-8(7)6-10(9)12;1-2-3/h1-17,22-23,30H,18-21,24H2,(H,40,43);1-13,22H,14-18H2,(H,28,33);1-6H,11-12H2;3H,2H2,1H3
• InChIKey: MOVFFVYLEFOJFY-UHFFFAOYSA-N
• XLogP: 13.83
• TPSA: 214.25 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1205.48
LogP ≤ 5	13.83
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The IUPAC name of ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 159628632) is ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

What is the SMILES notation for ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The canonical SMILES for ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is CCO.Nc1cc2ccccc2cc1N.O=C(C(=O)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)c1ccccc1.O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4cc5ccccc5cc4nc3-c3ccccc3)cc2)CC1.

What is the InChIKey of ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The InChIKey is MOVFFVYLEFOJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H31N5O.C27H25N3O3.C10H10N2.C2H6O/c43-37-40-31-12-6-7-13-34(31)42(37)30-18-20-41(21-19-30)24-25-14-16-27(17-15-25)36-35(26-8-2-1-3-9-26)38-32-22-28-10-4-5-11-29(28)23-33(32)39-36;31-25(20-6-2-1-3-7-20)26(32)21-12-10-19(11-13-21)18-29-16-14-22(15-17-29)30-24-9-5-4-8-23(24)28-27(30)33;11-9-5-7-3-1-2-4-8(7)6-10(9)12;1-2-3/h1-17,22-23,30H,18-21,24H2,(H,40,43);1-13,22H,14-18H2,(H,28,33);1-6H,11-12H2;3H,2H2,1H3.

What are the key properties of ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 1205.48 g/mol, XLogP of 13.83, 11 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for ethanol;naphthalene-2,3-diamine;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(2-phenylbenzo[g]quinoxalin-3-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 159628632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).