4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione

C67H59N9O14 — CID 159789620

IUPAC4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione
SMILESCc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]c(=O)oc2c1.Cc1ccc2c(c1)C(=O)NC2=O.Cc1ccc2oc(=O)[nH]c2c1.Cc1cccc2[nH]c(=O)oc12.Cc1cccc2c1C(=O)NC2=O.Cc1cccc2c1NC(=O)C2.Cc1cccc2oc(=O)[nH]c12
InChIInChI=1S/2C9H7NO2.C9H9NO.C8H8N2O.4C8H7NO2/c1-5-2-3-6-7(4-5)9(12)10-8(6)11;1-5-3-2-4-6-7(5)9(12)10-8(6)11;1-6-3-2-4-7-5-8(11)10-9(6)7;1-5-2-3-6-7(4-5)10-8(11)9-6;1-5-2-3-7-6(4-5)9-8(10)11-7;1-5-2-3-6-7(4-5)11-8(10)9-6;1-5-3-2-4-6-7(5)9-8(10)11-6;1-5-3-2-4-6-7(5)11-8(10)9-6/h2*2-4H,1H3,(H,10,11,12);2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H2,9,10,11);4*2-4H,1H3,(H,9,10)
InChIKeyNIJTWDJGYIUCPU-UHFFFAOYSA-N
MW1214.26 g/mol
LogP10.13
Rot. Bonds

About 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione

4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione (PubChem CID 159789620) has the molecular formula C67H59N9O14 and a molecular weight of 1214.26 g/mol. Its IUPAC name is 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione.

Molecular Properties

Compound Name4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione
PubChem CID159789620
Molecular FormulaC67H59N9O14
Molecular Weight1214.26 g/mol
Exact Mass1213.42
IUPAC Name4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione
SMILESCc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]c(=O)oc2c1.Cc1ccc2c(c1)C(=O)NC2=O.Cc1ccc2oc(=O)[nH]c2c1.Cc1cccc2[nH]c(=O)oc12.Cc1cccc2c1C(=O)NC2=O.Cc1cccc2c1NC(=O)C2.Cc1cccc2oc(=O)[nH]c12
InChIInChI=1S/2C9H7NO2.C9H9NO.C8H8N2O.4C8H7NO2/c1-5-2-3-6-7(4-5)9(12)10-8(6)11;1-5-3-2-4-6-7(5)9(12)10-8(6)11;1-6-3-2-4-7-5-8(11)10-9(6)7;1-5-2-3-6-7(4-5)10-8(11)9-6;1-5-2-3-7-6(4-5)9-8(10)11-7;1-5-2-3-6-7(4-5)11-8(10)9-6;1-5-3-2-4-6-7(5)9-8(10)11-6;1-5-3-2-4-6-7(5)11-8(10)9-6/h2*2-4H,1H3,(H,10,11,12);2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H2,9,10,11);4*2-4H,1H3,(H,9,10)
InChIKeyNIJTWDJGYIUCPU-UHFFFAOYSA-N
XLogP10.13
TPSA354.09 Ų
H-Bond Donors9
H-Bond Acceptors14
Rotatable Bonds
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001214.26
LogP ≤ 510.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione with MolForge

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Launch Full Analysis

Related Compounds

5-tert-butyl-3H-1,3-benzoxazol-2-one;6-tert-butyl-3-cyclopropyl-1H-benzimidazol-2-one;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;4-tert-butyl-1,3-dihydroindol-2-one;6-tert-butyl-1,3-dihydroindol-2-one;bis(5-tert-butyl-1,3-dimethylbenzimidazol-2-one);6-tert-butyl-3-methyl-1H-benzimidazol-2-one;6-tert-butyl-3-(2-methylpropyl)-1H-benzimidazol-2-one;6-tert-butyl-3-propan-2-yl-1H-benzimidazol-2-one
CID 157061711
4-[4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;4-[4-[2-(1,3-dihydroisoindol-2-yl)-2-oxoethyl]-2-methylphenyl]-2H-isoquinolin-1-one;N-[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl]-2,3-dihydroindole-1-carboxamide;[4-(6-methyl-1-oxo-2H-isoquinolin-4-yl)phenyl] 5-methyl-1,3-dihydroisoindole-2-carboxylate
CID 158111542
CID 163824717
CID 163824717
2-[4-[2,3-Dimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]-2,3-dimethylphenyl]-5-(4-methylphenyl)isoindole-1,3-dione;2-[4-[2,5-dimethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]-3-methylphenyl]-5-(4-methylphenyl)isoindole-1,3-dione;2-[4-[3-ethyl-4-[2-ethyl-4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]phenyl]phenyl]phenyl]-5-(4-methylphenyl)isoindole-1,3-dione;5-(4-methylphenyl)-2-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]-2,3-di(propan-2-yl)phenyl]isoindole-1,3-dione;5-(4-methylphenyl)-2-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]-3,5-di(propan-2-yl)phenyl]isoindole-1,3-dione;5-(4-methylphenyl)-2-[4-[4-[4-[5-(4-methylphenyl)-1,3-dioxoisoindol-2-yl]-3-[(2-methylpropan-2-yl)oxy]phenyl]-2-propan-2-yloxyphenyl]phenyl]isoindole-1,3-dione
CID 163984939
1-(6-Methylidene-2-oxopiperidin-3-yl)-3-propan-2-ylbenzimidazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-6-propan-2-yl-1,3-benzoxazol-2-one;3-(6-methylidene-2-oxopiperidin-3-yl)-7-propan-2-yl-1,3-benzoxazol-2-one;bis(2-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylisoindole-1,3-dione);bis(2-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylisoindole-1,3-dione);3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-4-propan-2-ylbenzimidazol-2-one;3-methyl-1-(6-methylidene-2-oxopiperidin-3-yl)-5-propan-2-ylbenzimidazol-2-one
CID 167679917

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione?
The IUPAC name of 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione (CID 159789620) is 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione.
What is the SMILES notation for 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione?
The canonical SMILES for 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione is Cc1ccc2[nH]c(=O)[nH]c2c1.Cc1ccc2[nH]c(=O)oc2c1.Cc1ccc2c(c1)C(=O)NC2=O.Cc1ccc2oc(=O)[nH]c2c1.Cc1cccc2[nH]c(=O)oc12.Cc1cccc2c1C(=O)NC2=O.Cc1cccc2c1NC(=O)C2.Cc1cccc2oc(=O)[nH]c12.
What is the InChIKey of 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione?
The InChIKey is NIJTWDJGYIUCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H7NO2.C9H9NO.C8H8N2O.4C8H7NO2/c1-5-2-3-6-7(4-5)9(12)10-8(6)11;1-5-3-2-4-6-7(5)9(12)10-8(6)11;1-6-3-2-4-7-5-8(11)10-9(6)7;1-5-2-3-6-7(4-5)10-8(11)9-6;1-5-2-3-7-6(4-5)9-8(10)11-7;1-5-2-3-6-7(4-5)11-8(10)9-6;1-5-3-2-4-6-7(5)9-8(10)11-6;1-5-3-2-4-6-7(5)11-8(10)9-6/h2*2-4H,1H3,(H,10,11,12);2-4H,5H2,1H3,(H,10,11);2-4H,1H3,(H2,9,10,11);4*2-4H,1H3,(H,9,10).
What are the key properties of 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione?
4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione has a molecular weight of 1214.26 g/mol, XLogP of 10.13, 0 rotatable bonds, 9 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3H-1,3-benzoxazol-2-one;5-methyl-3H-1,3-benzoxazol-2-one;6-methyl-3H-1,3-benzoxazol-2-one;7-methyl-3H-1,3-benzoxazol-2-one;5-methyl-1,3-dihydrobenzimidazol-2-one;7-methyl-1,3-dihydroindol-2-one;4-methylisoindole-1,3-dione;5-methylisoindole-1,3-dione is sourced from PubChem (CID 159789620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).