N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide

C12H15N3O2 — CID 2885920

IUPACN-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)o1
InChIInChI=1S/C12H15N3O2/c1-10-3-4-11(17-10)12(16)14-5-2-7-15-8-6-13-9-15/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,16)
InChIKeyJABSJPAJNBVKPZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.60
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide

N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide (PubChem CID 2885920) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide
PubChem CID2885920
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC NameN-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)NCCCn2ccnc2)o1
InChIInChI=1S/C12H15N3O2/c1-10-3-4-11(17-10)12(16)14-5-2-7-15-8-6-13-9-15/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,16)
InChIKeyJABSJPAJNBVKPZ-UHFFFAOYSA-N
XLogP1.60
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.60
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-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide (CID 2885920) is N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)NCCCn2ccnc2)o1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide?
The InChIKey is JABSJPAJNBVKPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-10-3-4-11(17-10)12(16)14-5-2-7-15-8-6-13-9-15/h3-4,6,8-9H,2,5,7H2,1H3,(H,14,16).
What are the key properties of N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide?
N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazol-1-ylpropyl)-5-methylfuran-2-carboxamide is sourced from PubChem (CID 2885920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).