4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide

C163H132Cl2N22O12 — CID 158020633

IUPAC4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCC(=O)Cc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(NC(C)=O)cc5)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N(C)C)cc5)cc4)[nH]c3c2)cc1.Nc1ccc(C(=O)Cc2ccc3[nH]c(-c4ccc(NC(=O)c5ccc(N)cc5)c(Cl)c4)nc3c2Cl)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(/N=C/c5ccccc5)cc4)cc3)[nH]c2c1)c1ccc(/N=C/c2ccccc2)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C42H31N5O2.C33H28N4O4.C32H31N5O2.C28H21Cl2N5O2.C28H21N3O2/c48-40(32-12-18-35(19-13-32)43-27-29-7-3-1-4-8-29)26-31-11-24-38-39(25-31)47-41(46-38)33-14-22-37(23-15-33)45-42(49)34-16-20-36(21-17-34)44-28-30-9-5-2-6-10-30;1-20(38)17-22-3-6-24(7-4-22)31(40)19-23-5-16-29-30(18-23)37-32(36-29)25-8-12-28(13-9-25)35-33(41)26-10-14-27(15-11-26)34-21(2)39;1-36(2)26-14-8-22(9-15-26)30(38)20-21-5-18-28-29(19-21)35-31(34-28)23-6-12-25(13-7-23)33-32(39)24-10-16-27(17-11-24)37(3)4;29-21-13-18(6-11-22(21)34-28(37)16-3-9-20(32)10-4-16)27-33-23-12-5-17(25(30)26(23)35-27)14-24(36)15-1-7-19(31)8-2-15;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-23(15-13-21)29-28(33)22-9-5-2-6-10-22/h1-25,27-28H,26H2,(H,45,49)(H,46,47);3-16,18H,17,19H2,1-2H3,(H,34,39)(H,35,41)(H,36,37);5-19H,20H2,1-4H3,(H,33,39)(H,34,35);1-13H,14,31-32H2,(H,33,35)(H,34,37);1-17H,18H2,(H,29,33)(H,30,31)/b43-27+,44-28+;;;;
InChIKeyFGABVGVBWNVZRS-PRJMUQNESA-N
MW2661.90 g/mol
LogP33.73
Rot. Bonds39

About 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide

4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide (PubChem CID 158020633) has the molecular formula C163H132Cl2N22O12 and a molecular weight of 2661.90 g/mol. Its IUPAC name is 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide
PubChem CID158020633
Molecular FormulaC163H132Cl2N22O12
Molecular Weight2661.90 g/mol
Exact Mass2658.98
IUPAC Name4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide
SMILESCC(=O)Cc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(NC(C)=O)cc5)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N(C)C)cc5)cc4)[nH]c3c2)cc1.Nc1ccc(C(=O)Cc2ccc3[nH]c(-c4ccc(NC(=O)c5ccc(N)cc5)c(Cl)c4)nc3c2Cl)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(/N=C/c5ccccc5)cc4)cc3)[nH]c2c1)c1ccc(/N=C/c2ccccc2)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1)c1ccccc1
InChIInChI=1S/C42H31N5O2.C33H28N4O4.C32H31N5O2.C28H21Cl2N5O2.C28H21N3O2/c48-40(32-12-18-35(19-13-32)43-27-29-7-3-1-4-8-29)26-31-11-24-38-39(25-31)47-41(46-38)33-14-22-37(23-15-33)45-42(49)34-16-20-36(21-17-34)44-28-30-9-5-2-6-10-30;1-20(38)17-22-3-6-24(7-4-22)31(40)19-23-5-16-29-30(18-23)37-32(36-29)25-8-12-28(13-9-25)35-33(41)26-10-14-27(15-11-26)34-21(2)39;1-36(2)26-14-8-22(9-15-26)30(38)20-21-5-18-28-29(19-21)35-31(34-28)23-6-12-25(13-7-23)33-32(39)24-10-16-27(17-11-24)37(3)4;29-21-13-18(6-11-22(21)34-28(37)16-3-9-20(32)10-4-16)27-33-23-12-5-17(25(30)26(23)35-27)14-24(36)15-1-7-19(31)8-2-15;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-23(15-13-21)29-28(33)22-9-5-2-6-10-22/h1-25,27-28H,26H2,(H,45,49)(H,46,47);3-16,18H,17,19H2,1-2H3,(H,34,39)(H,35,41)(H,36,37);5-19H,20H2,1-4H3,(H,33,39)(H,34,35);1-13H,14,31-32H2,(H,33,35)(H,34,37);1-17H,18H2,(H,29,33)(H,30,31)/b43-27+,44-28+;;;;
InChIKeyFGABVGVBWNVZRS-PRJMUQNESA-N
XLogP33.73
TPSA503.66 Ų
H-Bond Donors13
H-Bond Acceptors23
Rotatable Bonds39
Heavy Atoms199
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002661.90
LogP ≤ 533.73
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The IUPAC name of 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide (CID 158020633) is 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The canonical SMILES for 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide is CC(=O)Cc1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(NC(C)=O)cc5)cc4)[nH]c3c2)cc1.CN(C)c1ccc(C(=O)Cc2ccc3nc(-c4ccc(NC(=O)c5ccc(N(C)C)cc5)cc4)[nH]c3c2)cc1.Nc1ccc(C(=O)Cc2ccc3[nH]c(-c4ccc(NC(=O)c5ccc(N)cc5)c(Cl)c4)nc3c2Cl)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(/N=C/c5ccccc5)cc4)cc3)[nH]c2c1)c1ccc(/N=C/c2ccccc2)cc1.O=C(Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)[nH]c2c1)c1ccccc1.
What is the InChIKey of 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide?
The InChIKey is FGABVGVBWNVZRS-PRJMUQNESA-N. The full InChI is InChI=1S/C42H31N5O2.C33H28N4O4.C32H31N5O2.C28H21Cl2N5O2.C28H21N3O2/c48-40(32-12-18-35(19-13-32)43-27-29-7-3-1-4-8-29)26-31-11-24-38-39(25-31)47-41(46-38)33-14-22-37(23-15-33)45-42(49)34-16-20-36(21-17-34)44-28-30-9-5-2-6-10-30;1-20(38)17-22-3-6-24(7-4-22)31(40)19-23-5-16-29-30(18-23)37-32(36-29)25-8-12-28(13-9-25)35-33(41)26-10-14-27(15-11-26)34-21(2)39;1-36(2)26-14-8-22(9-15-26)30(38)20-21-5-18-28-29(19-21)35-31(34-28)23-6-12-25(13-7-23)33-32(39)24-10-16-27(17-11-24)37(3)4;29-21-13-18(6-11-22(21)34-28(37)16-3-9-20(32)10-4-16)27-33-23-12-5-17(25(30)26(23)35-27)14-24(36)15-1-7-19(31)8-2-15;32-26(20-7-3-1-4-8-20)18-19-11-16-24-25(17-19)31-27(30-24)21-12-14-23(15-13-21)29-28(33)22-9-5-2-6-10-22/h1-25,27-28H,26H2,(H,45,49)(H,46,47);3-16,18H,17,19H2,1-2H3,(H,34,39)(H,35,41)(H,36,37);5-19H,20H2,1-4H3,(H,33,39)(H,34,35);1-13H,14,31-32H2,(H,33,35)(H,34,37);1-17H,18H2,(H,29,33)(H,30,31)/b43-27+,44-28+;;;;.
What are the key properties of 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide?
4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide has a molecular weight of 2661.90 g/mol, XLogP of 33.73, 39 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[4-[6-[2-oxo-2-[4-(2-oxopropyl)phenyl]ethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-amino-N-[4-[5-[2-(4-aminophenyl)-2-oxoethyl]-4-chloro-1H-benzimidazol-2-yl]-2-chlorophenyl]benzamide;4-(benzylideneamino)-N-[4-[6-[2-[4-(benzylideneamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;4-(dimethylamino)-N-[4-[6-[2-[4-(dimethylamino)phenyl]-2-oxoethyl]-1H-benzimidazol-2-yl]phenyl]benzamide;N-[4-(6-phenacyl-1H-benzimidazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 158020633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).