[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone

C11H13N3O2 — CID 116590098

IUPAC[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(CN)o1
InChIInChI=1S/C11H13N3O2/c1-2-14-6-5-13-11(14)10(15)9-4-3-8(7-12)16-9/h3-6H,2,7,12H2,1H3
InChIKeyNECCFEKOIBZFQL-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.19
Rot. Bonds4

About [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone

[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone (PubChem CID 116590098) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone
PubChem CID116590098
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC Name[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone
SMILESCCn1ccnc1C(=O)c1ccc(CN)o1
InChIInChI=1S/C11H13N3O2/c1-2-14-6-5-13-11(14)10(15)9-4-3-8(7-12)16-9/h3-6H,2,7,12H2,1H3
InChIKeyNECCFEKOIBZFQL-UHFFFAOYSA-N
XLogP1.19
TPSA74.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chlorofuran-2-yl)-(1-ethylimidazol-2-yl)methanone
CID 106689394
[4-(aminomethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116548266
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989
5-[(1-ethylimidazol-2-yl)methyl]furan-2-carboxylic acid
CID 79738810
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
[2-(2-aminoethyl)phenyl]-(1-ethylimidazol-2-yl)methanone
CID 116577477
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
(1-ethylimidazol-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 61316659
(1-ethylimidazol-2-yl)-(1H-imidazol-2-yl)methanone
CID 18960771
[4-(2-aminoethyl)phenyl]-(1-propylimidazol-2-yl)methanone
CID 116577736
[5-(aminomethyl)furan-2-yl]-(1-methylpyrazol-4-yl)methanone
CID 116589973

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone (CID 116590098) is [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone is CCn1ccnc1C(=O)c1ccc(CN)o1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone?
The InChIKey is NECCFEKOIBZFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c1-2-14-6-5-13-11(14)10(15)9-4-3-8(7-12)16-9/h3-6H,2,7,12H2,1H3.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone?
[5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone has a molecular weight of 219.24 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(1-ethylimidazol-2-yl)methanone is sourced from PubChem (CID 116590098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).