2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one

C21H19N3O — CID 163844038

IUPAC2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one
SMILESCCc1cccc(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)c1
InChIInChI=1S/C21H19N3O/c1-4-13-8-7-9-14(12-13)17-19-18(22-21(23-19)24(2)3)15-10-5-6-11-16(15)20(17)25/h5-12H,4H2,1-3H3
InChIKeyOONRDFRVYVNJEM-UHFFFAOYSA-N
MW329.40 g/mol
LogP3.58
Rot. Bonds2

About 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one

2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one (PubChem CID 163844038) has the molecular formula C21H19N3O and a molecular weight of 329.40 g/mol. Its IUPAC name is 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one.

Molecular Properties

Compound Name2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one
PubChem CID163844038
Molecular FormulaC21H19N3O
Molecular Weight329.40 g/mol
Exact Mass329.15
IUPAC Name2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one
SMILESCCc1cccc(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)c1
InChIInChI=1S/C21H19N3O/c1-4-13-8-7-9-14(12-13)17-19-18(22-21(23-19)24(2)3)15-10-5-6-11-16(15)20(17)25/h5-12H,4H2,1-3H3
InChIKeyOONRDFRVYVNJEM-UHFFFAOYSA-N
XLogP3.58
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-(dimethylamino)benzo[e]benzimidazol-5-one
CID 134536707
2-(dimethylamino)-4-(2-fluoro-4-methoxyphenyl)benzo[e]benzimidazol-5-one
CID 146233041
2-(dimethylamino)-4-(2-piperazin-1-ylphenyl)benzo[e]benzimidazol-5-one
CID 134536705
2-(diethylamino)-4-(6-morpholin-4-yl-3-pyridinyl)benzo[e]benzimidazol-5-one
CID 134536742
3-ethylfluoren-9-one
CID 11344805
2-(dimethylamino)-4-[(2Z,4Z)-2-(fluoromethyl)octa-2,4-dien-6-ynyl]benzo[e]benzimidazol-5-one
CID 134536692
1-ethyl-3-phenylbenzene;propane
CID 145466525
3-(3-ethylphenyl)-1H-pyridin-2-one
CID 57202866
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
3-(3-ethylphenyl)-6-phenyl-1,4-dihydro-1,2,4,5-tetrazine
CID 178022259
2-[2-(3-ethylphenyl)phenyl]acetaldehyde
CID 87253918
1-ethyl-3-(3-ethylphenyl)benzene;methanediamine
CID 134305122

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one?
The IUPAC name of 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one (CID 163844038) is 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one.
What is the SMILES notation for 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one?
The canonical SMILES for 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one is CCc1cccc(C2=C3N=C(N(C)C)N=C3c3ccccc3C2=O)c1.
What is the InChIKey of 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one?
The InChIKey is OONRDFRVYVNJEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O/c1-4-13-8-7-9-14(12-13)17-19-18(22-21(23-19)24(2)3)15-10-5-6-11-16(15)20(17)25/h5-12H,4H2,1-3H3.
What are the key properties of 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one?
2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one has a molecular weight of 329.40 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-4-(3-ethylphenyl)benzo[e]benzimidazol-5-one is sourced from PubChem (CID 163844038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).