1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol

C11H15N3O2 — CID 61462995

IUPAC1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol
SMILESOC(CNCCn1ccnc1)c1ccco1
InChIInChI=1S/C11H15N3O2/c15-10(11-2-1-7-16-11)8-12-3-5-14-6-4-13-9-14/h1-2,4,6-7,9-10,12,15H,3,5,8H2
InChIKeyNNPUFZZSRNCUCM-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.80
Rot. Bonds6

About 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol

1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol (PubChem CID 61462995) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol.

Molecular Properties

Compound Name1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol
PubChem CID61462995
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol
SMILESOC(CNCCn1ccnc1)c1ccco1
InChIInChI=1S/C11H15N3O2/c15-10(11-2-1-7-16-11)8-12-3-5-14-6-4-13-9-14/h1-2,4,6-7,9-10,12,15H,3,5,8H2
InChIKeyNNPUFZZSRNCUCM-UHFFFAOYSA-N
XLogP0.80
TPSA63.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.80
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

2-(2-imidazol-1-ylethylamino)-1-phenylethanol
CID 60689397
1-(2,5-dichlorophenyl)-2-(2-imidazol-1-ylethylamino)ethanol
CID 61463037
1-[2-(furan-2-yl)-2-hydroxyethyl]-3-[[4-(imidazol-1-ylmethyl)phenyl]methyl]urea
CID 110896216
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-imidazol-1-ylethanamine
CID 61324706
1-[(2R)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-imidazol-1-ylethyl)urea
CID 95151616
N-(furan-2-ylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 17156294
N-(furan-2-ylmethyl)-4-imidazol-1-ylbutan-1-amine
CID 61067392
1-(2-imidazol-1-ylethylamino)-3-methoxypropan-2-ol
CID 63930273
N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876062
2-(3-imidazol-1-ylpropylamino)-1-thiophen-3-ylethanol
CID 106435002
1-(2-imidazol-1-ylethylamino)-3-(2-methoxyphenoxy)propan-2-ol
CID 61463199
1-(furan-2-yl)-2-[(1-methylpyrrol-2-yl)methylamino]ethanol
CID 71982545

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol?
The IUPAC name of 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol (CID 61462995) is 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol.
What is the SMILES notation for 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol?
The canonical SMILES for 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol is OC(CNCCn1ccnc1)c1ccco1.
What is the InChIKey of 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol?
The InChIKey is NNPUFZZSRNCUCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-10(11-2-1-7-16-11)8-12-3-5-14-6-4-13-9-14/h1-2,4,6-7,9-10,12,15H,3,5,8H2.
What are the key properties of 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol?
1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol has a molecular weight of 221.26 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-2-(2-imidazol-1-ylethylamino)ethanol is sourced from PubChem (CID 61462995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).