5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide

C11H12N6O2 — CID 134162879

IUPAC5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NCCc2cnc[nH]2)o1
InChIInChI=1S/C11H12N6O2/c12-17-16-6-9-1-2-10(19-9)11(18)14-4-3-8-5-13-7-15-8/h1-2,5,7H,3-4,6H2,(H,13,15)(H,14,18)
InChIKeyIVBVJBXNFMRVSH-UHFFFAOYSA-N
MW260.26 g/mol
LogP1.79
Rot. Bonds6

About 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide

5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide (PubChem CID 134162879) has the molecular formula C11H12N6O2 and a molecular weight of 260.26 g/mol. Its IUPAC name is 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide
PubChem CID134162879
Molecular FormulaC11H12N6O2
Molecular Weight260.26 g/mol
Exact Mass260.10
IUPAC Name5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide
SMILES[N-]=[N+]=NCc1ccc(C(=O)NCCc2cnc[nH]2)o1
InChIInChI=1S/C11H12N6O2/c12-17-16-6-9-1-2-10(19-9)11(18)14-4-3-8-5-13-7-15-8/h1-2,5,7H,3-4,6H2,(H,13,15)(H,14,18)
InChIKeyIVBVJBXNFMRVSH-UHFFFAOYSA-N
XLogP1.79
TPSA119.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65231177
2-(4-aminophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 65230866
N-(2-azidoethyl)-5-ethylfuran-2-carboxamide
CID 79084209
5-[2-(1H-imidazol-5-yl)ethylcarbamoyl]furan-3-carboxylic acid
CID 104607670
N-[2-(1H-imidazol-5-yl)ethyl]-2-pyridin-4-ylacetamide
CID 65232429
3-chloro-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-4-carboxamide
CID 66483968
4-(3-hydroxy-3-methylbutyl)-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 56914204
1-ethyl-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 65231782
N-[2-(1H-imidazol-5-yl)ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 50982303
5-amino-2-fluoro-N-[2-(1H-imidazol-5-yl)ethyl]benzamide
CID 65230532
5-(ethylamino)-N-[2-(1H-imidazol-5-yl)ethyl]pyrazine-2-carboxamide
CID 107375934
[4-[(2S)-2-acetamido-3-[2-(1H-imidazol-5-yl)ethylamino]-3-oxopropyl]phenyl] dihydrogen phosphate
CID 51002670

Frequently Asked Questions

What is the IUPAC name of 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide (CID 134162879) is 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide is [N-]=[N+]=NCc1ccc(C(=O)NCCc2cnc[nH]2)o1.
What is the InChIKey of 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide?
The InChIKey is IVBVJBXNFMRVSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O2/c12-17-16-6-9-1-2-10(19-9)11(18)14-4-3-8-5-13-7-15-8/h1-2,5,7H,3-4,6H2,(H,13,15)(H,14,18).
What are the key properties of 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide?
5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide has a molecular weight of 260.26 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azidomethyl)-N-[2-(1H-imidazol-5-yl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 134162879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).