methyl 4-(2-phenylimidazol-1-yl)butanoate

C14H16N2O2 — CID 11149223

IUPACmethyl 4-(2-phenylimidazol-1-yl)butanoate
SMILESCOC(=O)CCCn1ccnc1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-18-13(17)8-5-10-16-11-9-15-14(16)12-6-3-2-4-7-12/h2-4,6-7,9,11H,5,8,10H2,1H3
InChIKeyMZZXGGIGIAYECE-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.50
Rot. Bonds5

About methyl 4-(2-phenylimidazol-1-yl)butanoate

methyl 4-(2-phenylimidazol-1-yl)butanoate (PubChem CID 11149223) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl 4-(2-phenylimidazol-1-yl)butanoate.

Molecular Properties

Compound Namemethyl 4-(2-phenylimidazol-1-yl)butanoate
PubChem CID11149223
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Namemethyl 4-(2-phenylimidazol-1-yl)butanoate
SMILESCOC(=O)CCCn1ccnc1-c1ccccc1
InChIInChI=1S/C14H16N2O2/c1-18-13(17)8-5-10-16-11-9-15-14(16)12-6-3-2-4-7-12/h2-4,6-7,9,11H,5,8,10H2,1H3
InChIKeyMZZXGGIGIAYECE-UHFFFAOYSA-N
XLogP2.50
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 ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-phenylimidazol-1-yl)butanoic acid
CID 15307825
methyl 2-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]acetate
CID 90560846
1-(2-methoxyethyl)-3-[3-(2-phenylimidazol-1-yl)propyl]urea
CID 71789054
1-(3-bromopropyl)-2-phenylimidazole
CID 61069567
4-(2-phenylimidazol-1-yl)butanethioamide
CID 61069569
N-tert-butyl-4-(2-phenylimidazol-1-yl)butan-1-amine
CID 62566993
methyl 4-(2-formylimidazol-1-yl)butanoate
CID 62223157
3-methoxy-N-[2-(2-phenylimidazol-1-yl)ethyl]propan-1-amine
CID 55088135
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
2-phenyl-N-[3-(2-phenylimidazol-1-yl)propyl]butanamide
CID 71789005
1-[4-[2-(2-phenylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90560576
phenyl 7-(2-methylimidazol-1-yl)heptanoate
CID 67587513

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-phenylimidazol-1-yl)butanoate?
The IUPAC name of methyl 4-(2-phenylimidazol-1-yl)butanoate (CID 11149223) is methyl 4-(2-phenylimidazol-1-yl)butanoate.
What is the SMILES notation for methyl 4-(2-phenylimidazol-1-yl)butanoate?
The canonical SMILES for methyl 4-(2-phenylimidazol-1-yl)butanoate is COC(=O)CCCn1ccnc1-c1ccccc1.
What is the InChIKey of methyl 4-(2-phenylimidazol-1-yl)butanoate?
The InChIKey is MZZXGGIGIAYECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-18-13(17)8-5-10-16-11-9-15-14(16)12-6-3-2-4-7-12/h2-4,6-7,9,11H,5,8,10H2,1H3.
What are the key properties of methyl 4-(2-phenylimidazol-1-yl)butanoate?
methyl 4-(2-phenylimidazol-1-yl)butanoate has a molecular weight of 244.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-phenylimidazol-1-yl)butanoate is sourced from PubChem (CID 11149223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).