ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate

C16H21N3O2 — CID 166619240

IUPACethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1Cc1ccc(CN(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-4-21-16(20)15-17-9-10-19(15)12-14-7-5-13(6-8-14)11-18(2)3/h5-10H,4,11-12H2,1-3H3
InChIKeyGIGXWKPXYPHHOE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.17
Rot. Bonds6

About ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate

ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate (PubChem CID 166619240) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate
PubChem CID166619240
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Nameethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1Cc1ccc(CN(C)C)cc1
InChIInChI=1S/C16H21N3O2/c1-4-21-16(20)15-17-9-10-19(15)12-14-7-5-13(6-8-14)11-18(2)3/h5-10H,4,11-12H2,1-3H3
InChIKeyGIGXWKPXYPHHOE-UHFFFAOYSA-N
XLogP2.17
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate?
The IUPAC name of ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate (CID 166619240) is ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate is CCOC(=O)c1nccn1Cc1ccc(CN(C)C)cc1.
What is the InChIKey of ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate?
The InChIKey is GIGXWKPXYPHHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-4-21-16(20)15-17-9-10-19(15)12-14-7-5-13(6-8-14)11-18(2)3/h5-10H,4,11-12H2,1-3H3.
What are the key properties of ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate?
ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 2.17, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[4-[(dimethylamino)methyl]phenyl]methyl]imidazole-2-carboxylate is sourced from PubChem (CID 166619240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).