N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

C11H13N3O2 — CID 3246788

IUPACN-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccco1
InChIInChI=1S/C11H13N3O2/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15)
InChIKeySJCOIXPRMXVMDX-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.30
Rot. Bonds5

About N-(3-imidazol-1-ylpropyl)furan-2-carboxamide

N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (PubChem CID 3246788) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-imidazol-1-ylpropyl)furan-2-carboxamide
PubChem CID3246788
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-(3-imidazol-1-ylpropyl)furan-2-carboxamide
SMILESO=C(NCCCn1ccnc1)c1ccco1
InChIInChI=1S/C11H13N3O2/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15)
InChIKeySJCOIXPRMXVMDX-UHFFFAOYSA-N
XLogP1.30
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.30
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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Related Compounds

Pefurazoate
CID 93532
2-(furan-2-yl)-1H-imidazole
CID 665341
Benzofuran-2-carboxylic acid (3-imidazol-1-yl-propyl)-amide
CID 2952642
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-[1-({[3-(1H-imidazol-1-yl)propyl]amino}carbonyl)-2-(2-thienyl)vinyl]-2-furamide
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-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The IUPAC name of N-(3-imidazol-1-ylpropyl)furan-2-carboxamide (CID 3246788) is N-(3-imidazol-1-ylpropyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The canonical SMILES for N-(3-imidazol-1-ylpropyl)furan-2-carboxamide is O=C(NCCCn1ccnc1)c1ccco1.
What is the InChIKey of N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
The InChIKey is SJCOIXPRMXVMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c15-11(10-3-1-8-16-10)13-4-2-6-14-7-5-12-9-14/h1,3,5,7-9H,2,4,6H2,(H,13,15).
What are the key properties of N-(3-imidazol-1-ylpropyl)furan-2-carboxamide?
N-(3-imidazol-1-ylpropyl)furan-2-carboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.30, 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)furan-2-carboxamide is sourced from PubChem (CID 3246788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).