2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol

C18H21N3O2 — CID 135114004

IUPAC2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol
SMILESCc1ccc(-c2cccc(CN(CCO)Cc3ncc[nH]3)c2)o1
InChIInChI=1S/C18H21N3O2/c1-14-5-6-17(23-14)16-4-2-3-15(11-16)12-21(9-10-22)13-18-19-7-8-20-18/h2-8,11,22H,9-10,12-13H2,1H3,(H,19,20)
InChIKeyLHQWSDWTQDNYBM-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.97
Rot. Bonds7

About 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol

2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol (PubChem CID 135114004) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol
PubChem CID135114004
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol
SMILESCc1ccc(-c2cccc(CN(CCO)Cc3ncc[nH]3)c2)o1
InChIInChI=1S/C18H21N3O2/c1-14-5-6-17(23-14)16-4-2-3-15(11-16)12-21(9-10-22)13-18-19-7-8-20-18/h2-8,11,22H,9-10,12-13H2,1H3,(H,19,20)
InChIKeyLHQWSDWTQDNYBM-UHFFFAOYSA-N
XLogP2.97
TPSA65.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol (CID 135114004) is 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol is Cc1ccc(-c2cccc(CN(CCO)Cc3ncc[nH]3)c2)o1.
What is the InChIKey of 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol?
The InChIKey is LHQWSDWTQDNYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-14-5-6-17(23-14)16-4-2-3-15(11-16)12-21(9-10-22)13-18-19-7-8-20-18/h2-8,11,22H,9-10,12-13H2,1H3,(H,19,20).
What are the key properties of 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol?
2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol has a molecular weight of 311.39 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-2-ylmethyl-[[3-(5-methylfuran-2-yl)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 135114004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).