2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol

C21H26N2O3 — CID 95135611

IUPAC2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
SMILESCc1ccc([C@H](C)Cc2c(-c3ccccc3)ncn2CCOCCO)o1
InChIInChI=1S/C21H26N2O3/c1-16(20-9-8-17(2)26-20)14-19-21(18-6-4-3-5-7-18)22-15-23(19)10-12-25-13-11-24/h3-9,15-16,24H,10-14H2,1-2H3/t16-/m1/s1
InChIKeyQPPLEZREXPUJCS-MRXNPFEDSA-N
MW354.45 g/mol
LogP3.81
Rot. Bonds9

About 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol

2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol (PubChem CID 95135611) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
PubChem CID95135611
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol
SMILESCc1ccc([C@H](C)Cc2c(-c3ccccc3)ncn2CCOCCO)o1
InChIInChI=1S/C21H26N2O3/c1-16(20-9-8-17(2)26-20)14-19-21(18-6-4-3-5-7-18)22-15-23(19)10-12-25-13-11-24/h3-9,15-16,24H,10-14H2,1-2H3/t16-/m1/s1
InChIKeyQPPLEZREXPUJCS-MRXNPFEDSA-N
XLogP3.81
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol (CID 95135611) is 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol is Cc1ccc([C@H](C)Cc2c(-c3ccccc3)ncn2CCOCCO)o1.
What is the InChIKey of 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
The InChIKey is QPPLEZREXPUJCS-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16(20-9-8-17(2)26-20)14-19-21(18-6-4-3-5-7-18)22-15-23(19)10-12-25-13-11-24/h3-9,15-16,24H,10-14H2,1-2H3/t16-/m1/s1.
What are the key properties of 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol?
2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol has a molecular weight of 354.45 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[(2R)-2-(5-methylfuran-2-yl)propyl]-4-phenylimidazol-1-yl]ethoxy]ethanol is sourced from PubChem (CID 95135611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).