2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione

C19H18N2O2 — CID 10518737

IUPAC2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione
SMILESCn1c(C=C2CCCCC2)nc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H18N2O2/c1-21-15(11-12-7-3-2-4-8-12)20-16-17(21)19(23)14-10-6-5-9-13(14)18(16)22/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyWDRKCIHRJVRTGK-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.54
Rot. Bonds1

About 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione

2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione (PubChem CID 10518737) has the molecular formula C19H18N2O2 and a molecular weight of 306.36 g/mol. Its IUPAC name is 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione.

Molecular Properties

Compound Name2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione
PubChem CID10518737
Molecular FormulaC19H18N2O2
Molecular Weight306.36 g/mol
Exact Mass306.14
IUPAC Name2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione
SMILESCn1c(C=C2CCCCC2)nc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C19H18N2O2/c1-21-15(11-12-7-3-2-4-8-12)20-16-17(21)19(23)14-10-6-5-9-13(14)18(16)22/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyWDRKCIHRJVRTGK-UHFFFAOYSA-N
XLogP3.54
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.54
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

2-(cyclopentylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione
CID 10541659
2-[(E)-[(1S,4R)-2-bicyclo[2.2.1]heptanylidene]methyl]-3-methylbenzo[f]benzimidazole-4,9-dione
CID 10829360
2-(cyclohexylidenemethyl)-3-methylinden-1-one
CID 134946531
3-methyl-2-phenylindeno[1,2-d]imidazol-4-one
CID 86059747
3-hydroxy-2-propan-2-ylbenzo[f]benzimidazole-4,9-dione
CID 91972714
2-methyl-3-naphthalen-2-ylbenzo[f]benzimidazole-4,9-dione
CID 3586113
ethyl 3-[2-(cyclohexylidenemethyl)-3-oxoinden-1-yl]propanoate
CID 102458221
3-acetyl-2-anilinobenzo[f]benzimidazole-4,9-dione
CID 15304900
1,2,3,4-tetrahydroanthracene-9,10-dione
CID 174898123
10-methyl-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(21),3(11),4(9),13,15,17,19-heptaene-2,12-dione
CID 102236507
2-(2-cyclohexylideneethoxy)isoindole-1,3-dione
CID 24906032
cyclohexylidenemethylbenzene
CID 4158813

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione?
The IUPAC name of 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione (CID 10518737) is 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione.
What is the SMILES notation for 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione?
The canonical SMILES for 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione is Cn1c(C=C2CCCCC2)nc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione?
The InChIKey is WDRKCIHRJVRTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-21-15(11-12-7-3-2-4-8-12)20-16-17(21)19(23)14-10-6-5-9-13(14)18(16)22/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione?
2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione has a molecular weight of 306.36 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylidenemethyl)-3-methylbenzo[f]benzimidazole-4,9-dione is sourced from PubChem (CID 10518737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).