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'}

Analyze N-(4-imidazol-1-ylbutyl)furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pefurazoate
CID 93532
2-(furan-2-yl)-1H-imidazole
CID 665341
N-(3-imidazol-1-ylpropyl)furan-2-carboxamide
CID 3246788
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(pyridin-3-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 6996550
2-[1-(furan-2-ylmethyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 7151104
N-[(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-(thiophen-2-yl)prop-1-en-2-yl]furan-2-carboxamide
CID 5767539
N-[(1Z)-1-(furan-2-yl)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 7317256
N-[(E)-3-(3-imidazol-1-ylpropylamino)-3-oxo-1-thiophen-2-ylprop-1-en-2-yl]furan-2-carboxamide
CID 5731976
(2E)-3-(2-furyl)-2-(2-furylcarbonylamino)-N-(3-imidazolylpropyl)prop-2-enamide
CID 5732091
(2E)-2-(2-furylcarbonylamino)-N-(3-imidazolylpropyl)-3-(3-pyridyl)prop-2-enami de
CID 5732797
N-(imidazo[1,2-a]pyridin-2-ylmethyl)furan-2-carboxamide
CID 6623870
Furan-2-ylmethyl-carbamic acid 3-(1H-imidazol-4-yl)-propyl ester
CID 10514745

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).