1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one

C17H20N2O2 — CID 157345217

IUPAC1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCCOc1ccc(C)cc1.Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H12O.C8H8N2O/c1-3-10-9-6-4-8(2)5-7-9;1-5-2-3-6-7(4-5)10-8(11)9-6/h4-7H,3H2,1-2H3;2-4H,1H3,(H2,9,10,11)
InChIKeyBGWNBXFHTWKXJM-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.56
Rot. Bonds2

About 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one

1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 157345217) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one
PubChem CID157345217
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one
SMILESCCOc1ccc(C)cc1.Cc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H12O.C8H8N2O/c1-3-10-9-6-4-8(2)5-7-9;1-5-2-3-6-7(4-5)10-8(11)9-6/h4-7H,3H2,1-2H3;2-4H,1H3,(H2,9,10,11)
InChIKeyBGWNBXFHTWKXJM-UHFFFAOYSA-N
XLogP3.56
TPSA57.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;5-methyl-1,3-dihydrobenzimidazol-2-one
CID 90978639
N-(4-ethoxyphenyl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692387
5-(2-chloro-5-methylphenyl)-1,3-dihydrobenzimidazol-2-one
CID 122656499
2-[2-(4-ethoxyphenyl)-5-methyl-1H-indol-3-yl]acetic acid
CID 3935848
1-ethoxy-4-[4-(4-methylphenoxy)butoxy]benzene
CID 2283416
ethane;5-methoxy-1,3-dihydrobenzimidazol-2-one
CID 143892741
2,7-diethoxy-10H-acridin-9-one
CID 163923657
6-methyl-1,4-dihydroquinoxaline-2,3-dione;molecular hydrogen
CID 145445057
(2E)-2-[(4-ethoxyphenyl)methylidene]-6-methyl-4,9-dihydro-3H-carbazol-1-one
CID 170179954
3-(4-ethoxyphenyl)-6-methyl-1H-benzimidazole-2-thione
CID 43660308
2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)oxy]acetic acid
CID 84675808
5-[(4-methylphenyl)methylamino]-1,3-dihydrobenzimidazol-2-one
CID 755955

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one (CID 157345217) is 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one is CCOc1ccc(C)cc1.Cc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BGWNBXFHTWKXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.C8H8N2O/c1-3-10-9-6-4-8(2)5-7-9;1-5-2-3-6-7(4-5)10-8(11)9-6/h4-7H,3H2,1-2H3;2-4H,1H3,(H2,9,10,11).
What are the key properties of 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one?
1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 284.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-4-methylbenzene;5-methyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 157345217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).