2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one

C23H22N4O2 — CID 146232833

IUPAC2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccc(N4CCOCC4)cc3)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C23H22N4O2/c1-26(2)23-24-20-17-5-3-4-6-18(17)22(28)19(21(20)25-23)15-7-9-16(10-8-15)27-11-13-29-14-12-27/h3-10H,11-14H2,1-2H3
InChIKeyFXYJUYOXTJEODB-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.85
Rot. Bonds2

About 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one

2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one (PubChem CID 146232833) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one
PubChem CID146232833
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccc(N4CCOCC4)cc3)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C23H22N4O2/c1-26(2)23-24-20-17-5-3-4-6-18(17)22(28)19(21(20)25-23)15-7-9-16(10-8-15)27-11-13-29-14-12-27/h3-10H,11-14H2,1-2H3
InChIKeyFXYJUYOXTJEODB-UHFFFAOYSA-N
XLogP2.85
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one
CID 134536742
4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(dimethylamino)benzo[e]benzimidazol-5-one
CID 134536707
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-(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
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136
2-(4-chlorophenyl)-3-morpholin-4-ylnaphthalene-1,4-dione
CID 18871168
4-(2-chloro-4-methoxyphenyl)-2-(dimethylamino)benzo[e]benzimidazol-5-one
CID 134524171
N,N-dimethyl-4-morpholin-4-ylaniline
CID 11264229
13-[4-[4-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)phenyl]phenyl]-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102533214
1-[4-(azepan-1-yl)phenyl]-3H-isoquinolin-4-one;ethane
CID 123741913
2-(2-methylsulfonyl-5-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 168517930

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one?
The IUPAC name of 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one (CID 146232833) is 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one.
What is the SMILES notation for 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one?
The canonical SMILES for 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one is CN(C)C1=NC2=C(c3ccc(N4CCOCC4)cc3)C(=O)c3ccccc3C2=N1.
What is the InChIKey of 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one?
The InChIKey is FXYJUYOXTJEODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26(2)23-24-20-17-5-3-4-6-18(17)22(28)19(21(20)25-23)15-7-9-16(10-8-15)27-11-13-29-14-12-27/h3-10H,11-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one?
2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one has a molecular weight of 386.46 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one is sourced from PubChem (CID 146232833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).