3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate

C12H15N3O3 — CID 10514745

IUPAC3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)OCCCc1cnc[nH]1
InChIInChI=1S/C12H15N3O3/c16-12(14-8-11-4-2-5-17-11)18-6-1-3-10-7-13-9-15-10/h2,4-5,7,9H,1,3,6,8H2,(H,13,15)(H,14,16)
InChIKeyKVENFQVYINKUBM-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.86
Rot. Bonds6

About 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate

3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate (PubChem CID 10514745) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate.

Molecular Properties

Compound Name3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate
PubChem CID10514745
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate
SMILESO=C(NCc1ccco1)OCCCc1cnc[nH]1
InChIInChI=1S/C12H15N3O3/c16-12(14-8-11-4-2-5-17-11)18-6-1-3-10-7-13-9-15-10/h2,4-5,7,9H,1,3,6,8H2,(H,13,15)(H,14,16)
InChIKeyKVENFQVYINKUBM-UHFFFAOYSA-N
XLogP1.86
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate?
The IUPAC name of 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate (CID 10514745) is 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate.
What is the SMILES notation for 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate?
The canonical SMILES for 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate is O=C(NCc1ccco1)OCCCc1cnc[nH]1.
What is the InChIKey of 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate?
The InChIKey is KVENFQVYINKUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c16-12(14-8-11-4-2-5-17-11)18-6-1-3-10-7-13-9-15-10/h2,4-5,7,9H,1,3,6,8H2,(H,13,15)(H,14,16).
What are the key properties of 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate?
3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate has a molecular weight of 249.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-imidazol-5-yl)propyl N-(furan-2-ylmethyl)carbamate is sourced from PubChem (CID 10514745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).