3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one

C14H18N2O3 — CID 22456861

IUPAC3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one
SMILESCOc1ccc(C(C)Cn2cc[nH]c2=O)cc1OC
InChIInChI=1S/C14H18N2O3/c1-10(9-16-7-6-15-14(16)17)11-4-5-12(18-2)13(8-11)19-3/h4-8,10H,9H2,1-3H3,(H,15,17)
InChIKeyLIGFHIQINFKZOA-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.00
Rot. Bonds5

About 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one

3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one (PubChem CID 22456861) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one
PubChem CID22456861
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one
SMILESCOc1ccc(C(C)Cn2cc[nH]c2=O)cc1OC
InChIInChI=1S/C14H18N2O3/c1-10(9-16-7-6-15-14(16)17)11-4-5-12(18-2)13(8-11)19-3/h4-8,10H,9H2,1-3H3,(H,15,17)
InChIKeyLIGFHIQINFKZOA-UHFFFAOYSA-N
XLogP2.00
TPSA56.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one (CID 22456861) is 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one is COc1ccc(C(C)Cn2cc[nH]c2=O)cc1OC.
What is the InChIKey of 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one?
The InChIKey is LIGFHIQINFKZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-10(9-16-7-6-15-14(16)17)11-4-5-12(18-2)13(8-11)19-3/h4-8,10H,9H2,1-3H3,(H,15,17).
What are the key properties of 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one?
3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one has a molecular weight of 262.31 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,4-dimethoxyphenyl)propyl]-1H-imidazol-2-one is sourced from PubChem (CID 22456861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).