2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one

C23H23N5O — CID 134536705

IUPAC2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccccc3N3CCNCC3)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C23H23N5O/c1-27(2)23-25-20-15-7-3-4-8-16(15)22(29)19(21(20)26-23)17-9-5-6-10-18(17)28-13-11-24-12-14-28/h3-10,24H,11-14H2,1-2H3
InChIKeyFSZVRPRVOZICLO-UHFFFAOYSA-N
MW385.47 g/mol
LogP2.42
Rot. Bonds2

About 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one

2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one (PubChem CID 134536705) has the molecular formula C23H23N5O and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one
PubChem CID134536705
Molecular FormulaC23H23N5O
Molecular Weight385.47 g/mol
Exact Mass385.19
IUPAC Name2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one
SMILESCN(C)C1=NC2=C(c3ccccc3N3CCNCC3)C(=O)c3ccccc3C2=N1
InChIInChI=1S/C23H23N5O/c1-27(2)23-25-20-15-7-3-4-8-16(15)22(29)19(21(20)26-23)17-9-5-6-10-18(17)28-13-11-24-12-14-28/h3-10,24H,11-14H2,1-2H3
InChIKeyFSZVRPRVOZICLO-UHFFFAOYSA-N
XLogP2.42
TPSA60.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(dimethylamino)-4-[2,3-dimethyl-4-(4-methylpiperazin-1-yl)phenyl]benzo[e]benzimidazol-5-one
CID 134536735
2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one
CID 163844038
4-piperazin-1-ylnaphtho[3,2-e][2,1,3]benzothiadiazole-6,11-dione
CID 74223647
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
2-(2-piperazin-1-ylphenyl)aniline
CID 118221589
2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one
CID 134536742
1-(2-propan-2-ylphenyl)piperazine
CID 3608822
2-(1,4-diazepan-1-yl)benzenesulfonic acid
CID 86209666
1-(2-methylsulfanylphenyl)piperazine;hydrochloride
CID 76852196
1-[2-(benzenesulfonyl)phenyl]piperazine
CID 11849201
1-(2-chlorophenyl)piperazine
CID 162116490
1-[2-[2,4-bis(deuteriomethylsulfanyl)phenyl]phenyl]piperazine
CID 155267059

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one?
The IUPAC name of 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one (CID 134536705) is 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one.
What is the SMILES notation for 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one?
The canonical SMILES for 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one is CN(C)C1=NC2=C(c3ccccc3N3CCNCC3)C(=O)c3ccccc3C2=N1.
What is the InChIKey of 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one?
The InChIKey is FSZVRPRVOZICLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O/c1-27(2)23-25-20-15-7-3-4-8-16(15)22(29)19(21(20)26-23)17-9-5-6-10-18(17)28-13-11-24-12-14-28/h3-10,24H,11-14H2,1-2H3.
What are the key properties of 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one?
2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one has a molecular weight of 385.47 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one is sourced from PubChem (CID 134536705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).