methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate

C13H14N2O2 — CID 70825151

IUPACmethyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Cn1ccnc1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)8-11-4-2-3-5-12(11)9-15-7-6-14-10-15/h2-7,10H,8-9H2,1H3
InChIKeyDHKYGIGNZNPZMW-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.65
Rot. Bonds4

About methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate

methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate (PubChem CID 70825151) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
PubChem CID70825151
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Namemethyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate
SMILESCOC(=O)Cc1ccccc1Cn1ccnc1
InChIInChI=1S/C13H14N2O2/c1-17-13(16)8-11-4-2-3-5-12(11)9-15-7-6-14-10-15/h2-7,10H,8-9H2,1H3
InChIKeyDHKYGIGNZNPZMW-UHFFFAOYSA-N
XLogP1.65
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[2-(imidazol-1-ylmethyl)phenyl]-2-methyl-3-oxopropanoate
CID 134280288
methoxymethyl N-[2-(imidazol-1-ylmethyl)phenyl]carbamate
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N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-methoxybenzamide
CID 24650010
methyl 2-[2-[(4-formylimidazol-1-yl)methyl]phenyl]acetate
CID 106716658
N-ethyl-2-[2-(imidazol-1-ylmethyl)phenyl]ethanamine
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1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347
4-amino-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]pentanamide
CID 120564401
2-(cyclopropylmethylamino)-N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]acetamide
CID 119838755
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-4-methoxypiperidine-4-carboxamide;dihydrochloride
CID 119838766
[2-(imidazol-1-ylmethyl)phenyl]-phenylmethanone
CID 16747937
methyl 2-[2-[[3-[1-(methylamino)ethyl]pyrrol-1-yl]methyl]phenyl]acetate
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methyl 2-[2-(1,3-dihydroisoindol-2-ylmethyl)phenyl]acetate
CID 115462844

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate?
The IUPAC name of methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate (CID 70825151) is methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate?
The canonical SMILES for methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate is COC(=O)Cc1ccccc1Cn1ccnc1.
What is the InChIKey of methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate?
The InChIKey is DHKYGIGNZNPZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-17-13(16)8-11-4-2-3-5-12(11)9-15-7-6-14-10-15/h2-7,10H,8-9H2,1H3.
What are the key properties of methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate?
methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate has a molecular weight of 230.27 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(imidazol-1-ylmethyl)phenyl]acetate is sourced from PubChem (CID 70825151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).