N-(4-imidazol-1-ylbutyl)furan-2-carboxamide

C12H15N3O2 — CID 13371089

IUPACN-(4-imidazol-1-ylbutyl)furan-2-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1ccco1
InChIInChI=1S/C12H15N3O2/c16-12(11-4-3-9-17-11)14-5-1-2-7-15-8-6-13-10-15/h3-4,6,8-10H,1-2,5,7H2,(H,14,16)
InChIKeyRDIALQJXODHAKS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.69
Rot. Bonds6

About N-(4-imidazol-1-ylbutyl)furan-2-carboxamide

N-(4-imidazol-1-ylbutyl)furan-2-carboxamide (PubChem CID 13371089) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(4-imidazol-1-ylbutyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-imidazol-1-ylbutyl)furan-2-carboxamide
PubChem CID13371089
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(4-imidazol-1-ylbutyl)furan-2-carboxamide
SMILESO=C(NCCCCn1ccnc1)c1ccco1
InChIInChI=1S/C12H15N3O2/c16-12(11-4-3-9-17-11)14-5-1-2-7-15-8-6-13-10-15/h3-4,6,8-10H,1-2,5,7H2,(H,14,16)
InChIKeyRDIALQJXODHAKS-UHFFFAOYSA-N
XLogP1.69
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-imidazol-1-ylbutyl)furan-2-carboxamide?
The IUPAC name of N-(4-imidazol-1-ylbutyl)furan-2-carboxamide (CID 13371089) is N-(4-imidazol-1-ylbutyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-imidazol-1-ylbutyl)furan-2-carboxamide?
The canonical SMILES for N-(4-imidazol-1-ylbutyl)furan-2-carboxamide is O=C(NCCCCn1ccnc1)c1ccco1.
What is the InChIKey of N-(4-imidazol-1-ylbutyl)furan-2-carboxamide?
The InChIKey is RDIALQJXODHAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c16-12(11-4-3-9-17-11)14-5-1-2-7-15-8-6-13-10-15/h3-4,6,8-10H,1-2,5,7H2,(H,14,16).
What are the key properties of N-(4-imidazol-1-ylbutyl)furan-2-carboxamide?
N-(4-imidazol-1-ylbutyl)furan-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-imidazol-1-ylbutyl)furan-2-carboxamide is sourced from PubChem (CID 13371089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).