[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol

C12H17N3O2 — CID 64580128

IUPAC[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCCCn2ccnc2)o1
InChIInChI=1S/C12H17N3O2/c16-9-12-3-2-11(17-12)8-13-4-1-6-15-7-5-14-10-15/h2-3,5,7,10,13,16H,1,4,6,8-9H2
InChIKeyXYAACZFJQOXSKE-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.15
Rot. Bonds7

About [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol

[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol (PubChem CID 64580128) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
PubChem CID64580128
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CNCCCn2ccnc2)o1
InChIInChI=1S/C12H17N3O2/c16-9-12-3-2-11(17-12)8-13-4-1-6-15-7-5-14-10-15/h2-3,5,7,10,13,16H,1,4,6,8-9H2
InChIKeyXYAACZFJQOXSKE-UHFFFAOYSA-N
XLogP1.15
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.15
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

3-imidazol-1-yl-N-[(5-methylfuran-2-yl)methyl]propan-1-amine;oxalic acid
CID 17053071
3-imidazol-1-yl-N-[(5-phenylfuran-2-yl)methyl]propan-1-amine
CID 17156318
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156371
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
N-(1-benzofuran-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 28833124
3-imidazol-1-yl-N-(pyridin-4-ylmethyl)propan-1-amine
CID 15943325
N-[[5-(imidazol-1-ylmethyl)furan-2-yl]methyl]propan-1-amine
CID 62446636
3-imidazol-1-yl-N-(1,2-oxazol-3-ylmethyl)propan-1-amine
CID 81176934
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17156415
N-[(4-fluorophenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155304
3-imidazol-1-yl-N-(pyridin-3-ylmethyl)propan-1-amine;oxalic acid
CID 17052847

Frequently Asked Questions

What is the IUPAC name of [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol (CID 64580128) is [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol is OCc1ccc(CNCCCn2ccnc2)o1.
What is the InChIKey of [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol?
The InChIKey is XYAACZFJQOXSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-9-12-3-2-11(17-12)8-13-4-1-6-15-7-5-14-10-15/h2-3,5,7,10,13,16H,1,4,6,8-9H2.
What are the key properties of [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol?
[5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol has a molecular weight of 235.29 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-imidazol-1-ylpropylamino)methyl]furan-2-yl]methanol is sourced from PubChem (CID 64580128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).