acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

C149H154N24O12 — CID 158417178

About acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one

acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 158417178) has the molecular formula C149H154N24O12 and a molecular weight of 2473.03 g/mol. Its IUPAC name is acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

• Compound Name: acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
• PubChem CID: 158417178
• Molecular Formula: C149H154N24O12
• Molecular Weight: 2473.03 g/mol
• Exact Mass: 2471.22
• IUPAC Name: acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one
• SMILES: CC(=O)O.CC(=O)O.CCN(C)CCNC(=O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1.CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1.Nc1ccccc1N.O=C(C(=O)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)c1ccccc1.O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1
• InChI: InChI=1S/C40H43N7O2.C39H41N7O2.C33H29N5O.C27H25N3O3.C6H8N2.2C2H4O2/c1-3-45(4-2)25-22-41-39(48)31-18-19-33-35(26-31)43-38(37(42-33)29-10-6-5-7-11-29)30-16-14-28(15-17-30)27-46-23-20-32(21-24-46)47-36-13-9-8-12-34(36)44-40(47)49;1-3-44(2)24-21-40-38(47)30-17-18-32-34(25-30)42-36(28-9-5-4-6-10-28)37(41-32)29-15-13-27(14-16-29)26-45-22-19-31(20-23-45)46-35-12-8-7-11-33(35)43-39(46)48;39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32;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;7-5-3-1-2-4-6(5)8;2*1-2(3)4/h5-19,26,32H,3-4,20-25,27H2,1-2H3,(H,41,48)(H,44,49);4-18,25,31H,3,19-24,26H2,1-2H3,(H,40,47)(H,43,48);1-17,26H,18-22H2,(H,36,39);1-13,22H,14-18H2,(H,28,33);1-4H,7-8H2;2*1H3,(H,3,4)
• InChIKey: QPKDUGHLECSTOI-UHFFFAOYSA-N
• XLogP: 24.35
• TPSA: 466.92 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 28
• Rotatable Bonds: 32
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2473.03
LogP ≤ 5	24.35
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	28

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'}

Frequently Asked Questions

What is the IUPAC name of acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The IUPAC name of acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one (CID 158417178) is acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one.

What is the SMILES notation for acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The canonical SMILES for acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is CC(=O)O.CC(=O)O.CCN(C)CCNC(=O)c1ccc2nc(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)c(-c3ccccc3)nc2c1.CCN(CC)CCNC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccc(CN4CCC(n5c(=O)[nH]c6ccccc65)CC4)cc3)nc2c1.Nc1ccccc1N.O=C(C(=O)c1ccc(CN2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1)c1ccccc1.O=c1[nH]c2ccccc2n1C1CCN(Cc2ccc(-c3nc4ccccc4nc3-c3ccccc3)cc2)CC1.

What is the InChIKey of acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

The InChIKey is QPKDUGHLECSTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H43N7O2.C39H41N7O2.C33H29N5O.C27H25N3O3.C6H8N2.2C2H4O2/c1-3-45(4-2)25-22-41-39(48)31-18-19-33-35(26-31)43-38(37(42-33)29-10-6-5-7-11-29)30-16-14-28(15-17-30)27-46-23-20-32(21-24-46)47-36-13-9-8-12-34(36)44-40(47)49;1-3-44(2)24-21-40-38(47)30-17-18-32-34(25-30)42-36(28-9-5-4-6-10-28)37(41-32)29-15-13-27(14-16-29)26-45-22-19-31(20-23-45)46-35-12-8-7-11-33(35)43-39(46)48;39-33-36-29-12-6-7-13-30(29)38(33)26-18-20-37(21-19-26)22-23-14-16-25(17-15-23)32-31(24-8-2-1-3-9-24)34-27-10-4-5-11-28(27)35-32;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;7-5-3-1-2-4-6(5)8;2*1-2(3)4/h5-19,26,32H,3-4,20-25,27H2,1-2H3,(H,41,48)(H,44,49);4-18,25,31H,3,19-24,26H2,1-2H3,(H,40,47)(H,43,48);1-17,26H,18-22H2,(H,36,39);1-13,22H,14-18H2,(H,28,33);1-4H,7-8H2;2*1H3,(H,3,4).

What are the key properties of acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one?

acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 2473.03 g/mol, XLogP of 24.35, 32 rotatable bonds, 10 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;benzene-1,2-diamine;N-[2-(diethylamino)ethyl]-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylquinoxaline-6-carboxamide;N-[2-[ethyl(methyl)amino]ethyl]-2-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-3-phenylquinoxaline-6-carboxamide;1-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-2-phenylethane-1,2-dione;3-[1-[[4-(3-phenylquinoxalin-2-yl)phenyl]methyl]piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 158417178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).