N-(2-imidazol-1-ylethyl)furan-2-carboxamide

C10H11N3O2 — CID 13371087

IUPACN-(2-imidazol-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccco1
InChIInChI=1S/C10H11N3O2/c14-10(9-2-1-7-15-9)12-4-6-13-5-3-11-8-13/h1-3,5,7-8H,4,6H2,(H,12,14)
InChIKeyJEQNXRYDUGEOTN-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.91
Rot. Bonds4

About N-(2-imidazol-1-ylethyl)furan-2-carboxamide

N-(2-imidazol-1-ylethyl)furan-2-carboxamide (PubChem CID 13371087) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)furan-2-carboxamide
PubChem CID13371087
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC NameN-(2-imidazol-1-ylethyl)furan-2-carboxamide
SMILESO=C(NCCn1ccnc1)c1ccco1
InChIInChI=1S/C10H11N3O2/c14-10(9-2-1-7-15-9)12-4-6-13-5-3-11-8-13/h1-3,5,7-8H,4,6H2,(H,12,14)
InChIKeyJEQNXRYDUGEOTN-UHFFFAOYSA-N
XLogP0.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)furan-2-carboxamide?
The IUPAC name of N-(2-imidazol-1-ylethyl)furan-2-carboxamide (CID 13371087) is N-(2-imidazol-1-ylethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-imidazol-1-ylethyl)furan-2-carboxamide is O=C(NCCn1ccnc1)c1ccco1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)furan-2-carboxamide?
The InChIKey is JEQNXRYDUGEOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c14-10(9-2-1-7-15-9)12-4-6-13-5-3-11-8-13/h1-3,5,7-8H,4,6H2,(H,12,14).
What are the key properties of N-(2-imidazol-1-ylethyl)furan-2-carboxamide?
N-(2-imidazol-1-ylethyl)furan-2-carboxamide has a molecular weight of 205.22 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)furan-2-carboxamide is sourced from PubChem (CID 13371087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).