1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one

C17H18N2O2 — CID 761917

IUPAC1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one
SMILESCc1ccc(OCCn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-13-7-9-14(10-8-13)21-12-11-19-16-6-4-3-5-15(16)18(2)17(19)20/h3-10H,11-12H2,1-2H3
InChIKeyZIOJZNPALRFCTD-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.73
Rot. Bonds4

About 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one

1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one (PubChem CID 761917) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one
PubChem CID761917
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one
SMILESCc1ccc(OCCn2c(=O)n(C)c3ccccc32)cc1
InChIInChI=1S/C17H18N2O2/c1-13-7-9-14(10-8-13)21-12-11-19-16-6-4-3-5-15(16)18(2)17(19)20/h3-10H,11-12H2,1-2H3
InChIKeyZIOJZNPALRFCTD-UHFFFAOYSA-N
XLogP2.73
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Oxiperomide
CID 68634
3-[2-(4-methyl-2-propan-2-ylphenoxy)ethyl]-1H-benzimidazole-2-thione
CID 773463
4-(2-Benzylamino-ethoxy)-1,3-dihydro-benzoimidazol-2-one
CID 9817253
3-(4-ethoxybenzyl)-1,3-benzoxazol-2(3H)-one
CID 2989877
N-(4-ethoxybenzyl)-N'-phenylurea
CID 757706
1-Methyl-3-[2-(4-nitrophenoxy)ethyl]benzimidazol-2-one
CID 764469
1,3-Dihydro-1-(2-(2-methylphenoxy)ethyl)-2H-benzimidazole-2-thione
CID 773461
1-(2,3-Dihydroindol-1-yl)-2-(4-ethylphenoxy)ethanone
CID 833324
5-Methyl-3-(2-o-tolyloxy-ethyl)-3H-benzooxazol-2-one
CID 851216
5-Methyl-3-[2-(3-methylphenoxy)ethyl]-1,3-benzoxazol-2-one
CID 851217
ethyl 3-(4-methoxybenzyl)-2-oxo-2,3-dihydro-1H-1,3-benzimidazole-1-carboxylate
CID 1484101
5-{[2-(allyloxy)benzyl]amino}-1,3-dihydro-2H-benzimidazol-2-one
CID 2111513

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one?
The IUPAC name of 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one (CID 761917) is 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one is Cc1ccc(OCCn2c(=O)n(C)c3ccccc32)cc1.
What is the InChIKey of 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one?
The InChIKey is ZIOJZNPALRFCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-13-7-9-14(10-8-13)21-12-11-19-16-6-4-3-5-15(16)18(2)17(19)20/h3-10H,11-12H2,1-2H3.
What are the key properties of 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one?
1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one has a molecular weight of 282.34 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(4-methylphenoxy)ethyl]benzimidazol-2-one is sourced from PubChem (CID 761917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).