1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one

C17H18N2O3 — CID 2236694

IUPAC1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one
SMILESCOc1ccccc1OCCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H18N2O3/c1-18-13-7-3-4-8-14(13)19(17(18)20)11-12-22-16-10-6-5-9-15(16)21-2/h3-10H,11-12H2,1-2H3
InChIKeyZFVIXOSAHYQZMM-UHFFFAOYSA-N
MW298.34 g/mol
LogP2.43
Rot. Bonds5

About 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one

1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one (PubChem CID 2236694) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one
PubChem CID2236694
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC Name1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one
SMILESCOc1ccccc1OCCn1c(=O)n(C)c2ccccc21
InChIInChI=1S/C17H18N2O3/c1-18-13-7-3-4-8-14(13)19(17(18)20)11-12-22-16-10-6-5-9-15(16)21-2/h3-10H,11-12H2,1-2H3
InChIKeyZFVIXOSAHYQZMM-UHFFFAOYSA-N
XLogP2.43
TPSA45.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Oxiperomide
CID 68634
1-{3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369416
Benzimidazolone scaffold, 15f
CID 23369421
1-{2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl}-1H-benzo[d]imidazol-2(3H)-one
CID 23369450
1-(1-(3-(4-fluorophenoxy)propyl)piperidin-4-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 44204999
1-((S)-1-(((S)-2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)piperidin-3-yl)-1H-benzo[d]imidazol-2(3H)-one
CID 138621427
3-(2-phenoxyethyl)-1H-benzimidazole-2-thione
CID 761457
Benzimidazolone scaffold, 15h
CID 42618264
Benzimidazolone scaffold, 15j
CID 42618266
1-(3,5-Difluorophenyl)-3-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]imidazolidin-2-one
CID 44404623
1-Methyl-3-[2-(4-nitrophenoxy)ethyl]benzimidazol-2-one
CID 764469
1-[2-(4-ethoxyphenoxy)ethyl]-1H-benzimidazole-2-thiol
CID 784629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one?
The IUPAC name of 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one (CID 2236694) is 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one.
What is the SMILES notation for 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one?
The canonical SMILES for 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one is COc1ccccc1OCCn1c(=O)n(C)c2ccccc21.
What is the InChIKey of 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one?
The InChIKey is ZFVIXOSAHYQZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-18-13-7-3-4-8-14(13)19(17(18)20)11-12-22-16-10-6-5-9-15(16)21-2/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one?
1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one has a molecular weight of 298.34 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenoxy)ethyl]-3-methylbenzimidazol-2-one is sourced from PubChem (CID 2236694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).