methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate

C13H15N3O2 — CID 56865415

IUPACmethyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate
SMILESCCc1ccc(-c2nccn2CC(=O)OC)nc1
InChIInChI=1S/C13H15N3O2/c1-3-10-4-5-11(15-8-10)13-14-6-7-16(13)9-12(17)18-2/h4-8H,3,9H2,1-2H3
InChIKeyYPYZFDROYRSBDX-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.68
Rot. Bonds4

About methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate

methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate (PubChem CID 56865415) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate
PubChem CID56865415
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Namemethyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate
SMILESCCc1ccc(-c2nccn2CC(=O)OC)nc1
InChIInChI=1S/C13H15N3O2/c1-3-10-4-5-11(15-8-10)13-14-6-7-16(13)9-12(17)18-2/h4-8H,3,9H2,1-2H3
InChIKeyYPYZFDROYRSBDX-UHFFFAOYSA-N
XLogP1.68
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
5-ethyl-2-[1-[2-(furan-2-yl)ethyl]imidazol-2-yl]pyridine
CID 56867577
methyl 2-[2-(2-bromophenyl)imidazol-1-yl]acetate
CID 82561325
methyl 2-[2-(3,4-difluorophenyl)imidazol-1-yl]acetate
CID 82561230
methyl 2-[2-(ethylaminomethyl)imidazol-1-yl]acetate
CID 62221436
methyl 2-[2-(2-phenylethyl)imidazol-1-yl]acetate
CID 82561044
methyl 2-[2-(trifluoromethyl)imidazol-1-yl]acetate
CID 82561148
N-[5-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]-2-methoxyphenyl]methanesulfonamide
CID 70723264
2-[2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]phenyl]ethanol
CID 56911110
3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane
CID 154820414
methyl 2-[2-[(3,5-dichlorophenyl)methyl]imidazol-1-yl]acetate
CID 82561099
2-(2-pyridin-2-ylimidazol-1-yl)acetamide
CID 82558916

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate?
The IUPAC name of methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate (CID 56865415) is methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate is CCc1ccc(-c2nccn2CC(=O)OC)nc1.
What is the InChIKey of methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate?
The InChIKey is YPYZFDROYRSBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-3-10-4-5-11(15-8-10)13-14-6-7-16(13)9-12(17)18-2/h4-8H,3,9H2,1-2H3.
What are the key properties of methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate?
methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate has a molecular weight of 245.28 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]acetate is sourced from PubChem (CID 56865415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).