methyl 3-(3-benzylimidazol-4-yl)propanoate

C14H16N2O2 — CID 14535954

IUPACmethyl 3-(3-benzylimidazol-4-yl)propanoate
SMILESCOC(=O)CCc1cncn1Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)8-7-13-9-15-11-16(13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKeyFEWHBUJYQHXFMV-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.04
Rot. Bonds5

About methyl 3-(3-benzylimidazol-4-yl)propanoate

methyl 3-(3-benzylimidazol-4-yl)propanoate (PubChem CID 14535954) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 3-(3-benzylimidazol-4-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(3-benzylimidazol-4-yl)propanoate
PubChem CID14535954
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 3-(3-benzylimidazol-4-yl)propanoate
SMILESCOC(=O)CCc1cncn1Cc1ccccc1
InChIInChI=1S/C14H16N2O2/c1-18-14(17)8-7-13-9-15-11-16(13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3
InChIKeyFEWHBUJYQHXFMV-UHFFFAOYSA-N
XLogP2.04
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(3-benzylimidazol-4-yl)propanoate?
The IUPAC name of methyl 3-(3-benzylimidazol-4-yl)propanoate (CID 14535954) is methyl 3-(3-benzylimidazol-4-yl)propanoate.
What is the SMILES notation for methyl 3-(3-benzylimidazol-4-yl)propanoate?
The canonical SMILES for methyl 3-(3-benzylimidazol-4-yl)propanoate is COC(=O)CCc1cncn1Cc1ccccc1.
What is the InChIKey of methyl 3-(3-benzylimidazol-4-yl)propanoate?
The InChIKey is FEWHBUJYQHXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-14(17)8-7-13-9-15-11-16(13)10-12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3.
What are the key properties of methyl 3-(3-benzylimidazol-4-yl)propanoate?
methyl 3-(3-benzylimidazol-4-yl)propanoate has a molecular weight of 244.29 g/mol, XLogP of 2.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3-benzylimidazol-4-yl)propanoate is sourced from PubChem (CID 14535954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).