methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate

C14H19N3O3 — CID 79090257

IUPACmethyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)Cc2nccn2C)o1
InChIInChI=1S/C14H19N3O3/c1-10(11-5-6-12(20-11)14(18)19-4)17(3)9-13-15-7-8-16(13)2/h5-8,10H,9H2,1-4H3
InChIKeyFGZZEXJYYDKWFY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.99
Rot. Bonds5

About methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate

methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate (PubChem CID 79090257) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
PubChem CID79090257
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Namemethyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(C(C)N(C)Cc2nccn2C)o1
InChIInChI=1S/C14H19N3O3/c1-10(11-5-6-12(20-11)14(18)19-4)17(3)9-13-15-7-8-16(13)2/h5-8,10H,9H2,1-4H3
InChIKeyFGZZEXJYYDKWFY-UHFFFAOYSA-N
XLogP1.99
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[1-[methyl(2-pyridin-4-ylethyl)amino]ethyl]furan-2-carboxylate
CID 79086387
methyl 5-[[(1-methylimidazol-2-yl)methylamino]methyl]furan-2-carboxylate
CID 55170799
methyl 5-[1-[(5-chlorothiophen-2-yl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 71897211
methyl 5-[1-[(2-bromophenyl)methyl-methylamino]ethyl]furan-2-carboxylate
CID 78974983
methyl 5-[1-[butyl(methyl)amino]ethyl]furan-2-carboxylate
CID 112726846
methyl 5-[(1S)-1-[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethyl]furan-2-carboxylate
CID 99780816
methyl 5-[(1R)-1-[(3R)-3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]ethyl]furan-2-carboxylate
CID 99780817
4-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propyl]phenol
CID 81342939
4-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]aniline
CID 63013171
tert-butyl 2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 66338330
methyl 3-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoate
CID 62011854
(1R)-1-(2,6-difluorophenyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 97211639

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate (CID 79090257) is methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate is COC(=O)c1ccc(C(C)N(C)Cc2nccn2C)o1.
What is the InChIKey of methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate?
The InChIKey is FGZZEXJYYDKWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-10(11-5-6-12(20-11)14(18)19-4)17(3)9-13-15-7-8-16(13)2/h5-8,10H,9H2,1-4H3.
What are the key properties of methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate?
methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]furan-2-carboxylate is sourced from PubChem (CID 79090257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).