methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate

C19H22N2O2 — CID 143046953

IUPACmethyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate
SMILESC=Cc1nc(-c2ccc(C)cc2)c(CC(=O)OC)n1C=C(C)C
InChIInChI=1S/C19H22N2O2/c1-6-17-20-19(15-9-7-14(4)8-10-15)16(11-18(22)23-5)21(17)12-13(2)3/h6-10,12H,1,11H2,2-5H3
InChIKeyUWLJYWKTIPVZME-UHFFFAOYSA-N
MW310.40 g/mol
LogP4.10
Rot. Bonds5

About methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate

methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate (PubChem CID 143046953) has the molecular formula C19H22N2O2 and a molecular weight of 310.40 g/mol. Its IUPAC name is methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate
PubChem CID143046953
Molecular FormulaC19H22N2O2
Molecular Weight310.40 g/mol
Exact Mass310.17
IUPAC Namemethyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate
SMILESC=Cc1nc(-c2ccc(C)cc2)c(CC(=O)OC)n1C=C(C)C
InChIInChI=1S/C19H22N2O2/c1-6-17-20-19(15-9-7-14(4)8-10-15)16(11-18(22)23-5)21(17)12-13(2)3/h6-10,12H,1,11H2,2-5H3
InChIKeyUWLJYWKTIPVZME-UHFFFAOYSA-N
XLogP4.10
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
methyl (3R)-3-hydroxy-3-(4-methylphenyl)propanoate
CID 15081579
methyl N-[[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]carbamate
CID 11536868
methyl 2-amino-3-[2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanoate
CID 170884111
1-(bromomethyl)-4-methylbenzene;methyl 2-(4-methylphenyl)acetate
CID 158061256
methyl 2-(4,6-dimethylquinolin-2-yl)acetate
CID 82575101
(E)-3-[3-(butylaminomethyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-7-yl]-N-hydroxyprop-2-enamide
CID 143296646
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
methyl 2-[2-(4-methylphenyl)imidazol-1-yl]acetate
CID 82561175
[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl propanoate
CID 10518882
N,N-dimethyl-3-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]propanamide
CID 13267864

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate?
The IUPAC name of methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate (CID 143046953) is methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate.
What is the SMILES notation for methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate?
The canonical SMILES for methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate is C=Cc1nc(-c2ccc(C)cc2)c(CC(=O)OC)n1C=C(C)C.
What is the InChIKey of methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate?
The InChIKey is UWLJYWKTIPVZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O2/c1-6-17-20-19(15-9-7-14(4)8-10-15)16(11-18(22)23-5)21(17)12-13(2)3/h6-10,12H,1,11H2,2-5H3.
What are the key properties of methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate?
methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate has a molecular weight of 310.40 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethenyl-5-(4-methylphenyl)-3-(2-methylprop-1-enyl)imidazol-4-yl]acetate is sourced from PubChem (CID 143046953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).