2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one

C24H25N5O2 — CID 134536742

IUPAC2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one
SMILESCCN(CC)C1=NC2=C(c3ccc(N4CCOCC4)nc3)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C24H25N5O2/c1-3-28(4-2)24-26-21-17-7-5-6-8-18(17)23(30)20(22(21)27-24)16-9-10-19(25-15-16)29-11-13-31-14-12-29/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyGTJZBWMYQFADLB-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.03
Rot. Bonds4

About 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one

2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one (PubChem CID 134536742) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one
PubChem CID134536742
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one
SMILESCCN(CC)C1=NC2=C(c3ccc(N4CCOCC4)nc3)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C24H25N5O2/c1-3-28(4-2)24-26-21-17-7-5-6-8-18(17)23(30)20(22(21)27-24)16-9-10-19(25-15-16)29-11-13-31-14-12-29/h5-10,15H,3-4,11-14H2,1-2H3
InChIKeyGTJZBWMYQFADLB-UHFFFAOYSA-N
XLogP3.03
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-4-(4-morpholin-4-ylphenyl)benzo[e]benzimidazol-5-one
CID 146232833
2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one
CID 163844038
4-(6-morpholin-4-yl-3-pyridinyl)-2,3-dihydroisoindol-1-one
CID 175996415
4-[5-(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)-2-pyridinyl]morpholine
CID 58507795
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
N-(6-morpholin-4-yl-3-pyridinyl)ethanesulfonamide
CID 53016560
2-morpholin-4-yl-3-phenylnaphthalene-1,4-dione
CID 18871136
2-(3,5-dimethylpyrazol-1-yl)-2-[4-[2-(6-morpholin-4-yl-3-pyridinyl)phenyl]piperazin-1-yl]acetaldehyde
CID 87067703
[4-(2-cyanophenyl)phenyl]methyl 6-morpholin-4-ylpyridine-3-carboxylate
CID 30292906
4-(5-propan-2-yl-2-pyridinyl)morpholine
CID 20750181
ethane;1-(6-morpholin-4-yl-3-pyridinyl)ethanone
CID 145421407
N-[5-methyl-2-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117089268

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one?
The IUPAC name of 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one (CID 134536742) is 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one.
What is the SMILES notation for 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one?
The canonical SMILES for 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one is CCN(CC)C1=NC2=C(c3ccc(N4CCOCC4)nc3)C(=O)c3ccccc3C2=N1.
What is the InChIKey of 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one?
The InChIKey is GTJZBWMYQFADLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-3-28(4-2)24-26-21-17-7-5-6-8-18(17)23(30)20(22(21)27-24)16-9-10-19(25-15-16)29-11-13-31-14-12-29/h5-10,15H,3-4,11-14H2,1-2H3.
What are the key properties of 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one?
2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one has a molecular weight of 415.50 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one is sourced from PubChem (CID 134536742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).