2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one

C81H75N19O5 — CID 165068670

IUPAC2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one
SMILESCC1=NCC(C)=C1C1=C2N=C(N3CCOCC3)N=C2c2ccccc2C1=O.CCN(CC)C1=NC2=C(c3cnn(C)c3)C(=O)c3ccccc3C2=N1.Cc1c(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)cnn1-c1ccccc1.Cc1nn(C)cc1C1=C2N=C(N(C)C)N=C2c2ccccc2C1=O
InChIInChI=1S/C23H19N5O.C21H20N4O2.C19H19N5O.C18H17N5O/c1-14-18(13-24-28(14)15-9-5-4-6-10-15)19-21-20(25-23(26-21)27(2)3)16-11-7-8-12-17(16)22(19)29;1-12-11-22-13(2)16(12)17-19-18(14-5-3-4-6-15(14)20(17)26)23-21(24-19)25-7-9-27-10-8-25;1-4-24(5-2)19-21-16-13-8-6-7-9-14(13)18(25)15(17(16)22-19)12-10-20-23(3)11-12;1-10-13(9-23(4)21-10)14-16-15(19-18(20-16)22(2)3)11-7-5-6-8-12(11)17(14)24/h4-13H,1-3H3;3-6H,7-11H2,1-2H3;6-11H,4-5H2,1-3H3;5-9H,1-4H3
InChIKeySJSFZKSPGPWGJJ-UHFFFAOYSA-N
MW1394.62 g/mol
LogP10.51
Rot. Bonds7

About 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one

2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one (PubChem CID 165068670) has the molecular formula C81H75N19O5 and a molecular weight of 1394.62 g/mol. Its IUPAC name is 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one
PubChem CID165068670
Molecular FormulaC81H75N19O5
Molecular Weight1394.62 g/mol
Exact Mass1393.62
IUPAC Name2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one
SMILESCC1=NCC(C)=C1C1=C2N=C(N3CCOCC3)N=C2c2ccccc2C1=O.CCN(CC)C1=NC2=C(c3cnn(C)c3)C(=O)c3ccccc3C2=N1.Cc1c(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)cnn1-c1ccccc1.Cc1nn(C)cc1C1=C2N=C(N(C)C)N=C2c2ccccc2C1=O
InChIInChI=1S/C23H19N5O.C21H20N4O2.C19H19N5O.C18H17N5O/c1-14-18(13-24-28(14)15-9-5-4-6-10-15)19-21-20(25-23(26-21)27(2)3)16-11-7-8-12-17(16)22(19)29;1-12-11-22-13(2)16(12)17-19-18(14-5-3-4-6-15(14)20(17)26)23-21(24-19)25-7-9-27-10-8-25;1-4-24(5-2)19-21-16-13-8-6-7-9-14(13)18(25)15(17(16)22-19)12-10-20-23(3)11-12;1-10-13(9-23(4)21-10)14-16-15(19-18(20-16)22(2)3)11-7-5-6-8-12(11)17(14)24/h4-13H,1-3H3;3-6H,7-11H2,1-2H3;6-11H,4-5H2,1-3H3;5-9H,1-4H3
InChIKeySJSFZKSPGPWGJJ-UHFFFAOYSA-N
XLogP10.51
TPSA255.17 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds7
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001394.62
LogP ≤ 510.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one with MolForge

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Related Compounds

2-(diethylamino)-4-(3,5-dimethyl-2H-pyrrol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(2,4-dimethylphenyl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(3,5-dimethyl-2H-pyrrol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3,5-trimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one
CID 165072449
2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one
CID 146232833
2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one
CID 134536742
2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one
CID 163844038
2-(dimethylamino)-4-[2,3-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]benzo[e]benzimidazol-5-one
CID 134536735
2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one
CID 134536705
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-morpholin-4-ylpyrrole-2,5-dione
CID 22728601
[2-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-8-yl]-(4-phenylpiperazin-1-yl)methanone
CID 122589764
(3S)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]oxolan-2-one
CID 95899466
4-[4-[4-methyl-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]-2-pyridinyl]morpholine
CID 162152446
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-sulfonamide
CID 22771454
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one?
The IUPAC name of 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one (CID 165068670) is 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one.
What is the SMILES notation for 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one?
The canonical SMILES for 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one is CC1=NCC(C)=C1C1=C2N=C(N3CCOCC3)N=C2c2ccccc2C1=O.CCN(CC)C1=NC2=C(c3cnn(C)c3)C(=O)c3ccccc3C2=N1.Cc1c(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)cnn1-c1ccccc1.Cc1nn(C)cc1C1=C2N=C(N(C)C)N=C2c2ccccc2C1=O.
What is the InChIKey of 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one?
The InChIKey is SJSFZKSPGPWGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O.C21H20N4O2.C19H19N5O.C18H17N5O/c1-14-18(13-24-28(14)15-9-5-4-6-10-15)19-21-20(25-23(26-21)27(2)3)16-11-7-8-12-17(16)22(19)29;1-12-11-22-13(2)16(12)17-19-18(14-5-3-4-6-15(14)20(17)26)23-21(24-19)25-7-9-27-10-8-25;1-4-24(5-2)19-21-16-13-8-6-7-9-14(13)18(25)15(17(16)22-19)12-10-20-23(3)11-12;1-10-13(9-23(4)21-10)14-16-15(19-18(20-16)22(2)3)11-7-5-6-8-12(11)17(14)24/h4-13H,1-3H3;3-6H,7-11H2,1-2H3;6-11H,4-5H2,1-3H3;5-9H,1-4H3.
What are the key properties of 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one?
2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one has a molecular weight of 1394.62 g/mol, XLogP of 10.51, 7 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(1-methylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(1,3-dimethylpyrazol-4-yl)benzo[e]benzimidazol-5-one;2-(dimethylamino)-4-(5-methyl-1-phenylpyrazol-4-yl)benzo[e]benzimidazol-5-one;4-(3,5-dimethyl-2H-pyrrol-4-yl)-2-morpholin-4-ylbenzo[e]benzimidazol-5-one is sourced from PubChem (CID 165068670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).