N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide

C10H11N3O2 — CID 115620204

IUPACN-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccoc1
InChIInChI=1S/C10H11N3O2/c14-10(8-2-6-15-7-8)13-3-1-9-11-4-5-12-9/h2,4-7H,1,3H2,(H,11,12)(H,13,14)
InChIKeyXMHCYLQGHZCUND-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide

N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide (PubChem CID 115620204) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
PubChem CID115620204
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide
SMILESO=C(NCCc1ncc[nH]1)c1ccoc1
InChIInChI=1S/C10H11N3O2/c14-10(8-2-6-15-7-8)13-3-1-9-11-4-5-12-9/h2,4-7H,1,3H2,(H,11,12)(H,13,14)
InChIKeyXMHCYLQGHZCUND-UHFFFAOYSA-N
XLogP0.98
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide (CID 115620204) is N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide is O=C(NCCc1ncc[nH]1)c1ccoc1.
What is the InChIKey of N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
The InChIKey is XMHCYLQGHZCUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-10(8-2-6-15-7-8)13-3-1-9-11-4-5-12-9/h2,4-7H,1,3H2,(H,11,12)(H,13,14).
What are the key properties of N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide?
N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-2-yl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 115620204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).