3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol

C12H17N3O2 — CID 43770586

IUPAC3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
SMILESCn1ccnc1C(NCCCO)c1ccco1
InChIInChI=1S/C12H17N3O2/c1-15-7-6-14-12(15)11(13-5-3-8-16)10-4-2-9-17-10/h2,4,6-7,9,11,13,16H,3,5,8H2,1H3
InChIKeyZDLUWUPJSQXDQK-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.07
Rot. Bonds6

About 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol

3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol (PubChem CID 43770586) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
PubChem CID43770586
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
SMILESCn1ccnc1C(NCCCO)c1ccco1
InChIInChI=1S/C12H17N3O2/c1-15-7-6-14-12(15)11(13-5-3-8-16)10-4-2-9-17-10/h2,4,6-7,9,11,13,16H,3,5,8H2,1H3
InChIKeyZDLUWUPJSQXDQK-UHFFFAOYSA-N
XLogP1.07
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020764
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-(2-methoxyethoxy)propan-1-amine
CID 43770887
3-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]propan-1-ol
CID 43770573
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888
3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
CID 106114847
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
[1-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115454330
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-(trifluoromethylsulfanyl)ethanamine
CID 106427266
4-[[(1-methylimidazol-2-yl)-thiophen-2-ylmethyl]amino]butan-1-ol
CID 106840967

Frequently Asked Questions

What is the IUPAC name of 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol?
The IUPAC name of 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol (CID 43770586) is 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol.
What is the SMILES notation for 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol?
The canonical SMILES for 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol is Cn1ccnc1C(NCCCO)c1ccco1.
What is the InChIKey of 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol?
The InChIKey is ZDLUWUPJSQXDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-15-7-6-14-12(15)11(13-5-3-8-16)10-4-2-9-17-10/h2,4,6-7,9,11,13,16H,3,5,8H2,1H3.
What are the key properties of 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol?
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol has a molecular weight of 235.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol is sourced from PubChem (CID 43770586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).