2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol

C19H22N2O4 — CID 142932748

IUPAC2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol
SMILESCO.CO.O=C1CC(C2Nc3ccccc3N2)C(=O)c2ccccc21
InChIInChI=1S/C17H14N2O2.2CH4O/c20-15-9-12(16(21)11-6-2-1-5-10(11)15)17-18-13-7-3-4-8-14(13)19-17;2*1-2/h1-8,12,17-19H,9H2;2*2H,1H3
InChIKeyGNFGECFGJZAARZ-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.15
Rot. Bonds1

About 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol

2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol (PubChem CID 142932748) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol
PubChem CID142932748
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol
SMILESCO.CO.O=C1CC(C2Nc3ccccc3N2)C(=O)c2ccccc21
InChIInChI=1S/C17H14N2O2.2CH4O/c20-15-9-12(16(21)11-6-2-1-5-10(11)15)17-18-13-7-3-4-8-14(13)19-17;2*1-2/h1-8,12,17-19H,9H2;2*2H,1H3
InChIKeyGNFGECFGJZAARZ-UHFFFAOYSA-N
XLogP2.15
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_gamma(5)', 'substructure': 'N/A'}

Analyze 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4b,5,10b,11-tetrahydrochrysene-6,12-dione
CID 11265495
2-(4-hydroxyphenyl)-2,3-dihydro-1H-quinolin-4-one
CID 78099399
2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
CID 659071
2-(trifluoromethyl)-2,3-dihydro-1H-quinolin-4-one
CID 12990251
2-[(2S)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
CID 68879518
2-[(2R)-4-oxo-2,3-dihydro-1H-quinolin-2-yl]acetamide
CID 71035225
CID 56964004
CID 56964004
(2R)-2-pentyl-2,3-dihydro-1H-quinolin-4-one
CID 53304941
(4aS,9aS)-1,4,4a,9a-tetrahydroanthracene-9,10-dione
CID 98115769
(2S)-2-(4-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86326370
(2R)-2-(4-chlorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 86312786
2-(2-fluorophenyl)-2,3-dihydro-1H-quinolin-4-one
CID 11218695

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol?
The IUPAC name of 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol (CID 142932748) is 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol.
What is the SMILES notation for 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol?
The canonical SMILES for 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol is CO.CO.O=C1CC(C2Nc3ccccc3N2)C(=O)c2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol?
The InChIKey is GNFGECFGJZAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2.2CH4O/c20-15-9-12(16(21)11-6-2-1-5-10(11)15)17-18-13-7-3-4-8-14(13)19-17;2*1-2/h1-8,12,17-19H,9H2;2*2H,1H3.
What are the key properties of 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol?
2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol has a molecular weight of 342.40 g/mol, XLogP of 2.15, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-benzimidazol-2-yl)-2,3-dihydronaphthalene-1,4-dione;methanol is sourced from PubChem (CID 142932748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).