2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline

C21H21N3O — CID 172709221

IUPAC2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline
SMILESOCCc1ncc(Cc2ccccc2)[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C12H14N2O.C9H7N/c15-7-6-12-13-9-11(14-12)8-10-4-2-1-3-5-10;1-2-6-9-8(4-1)5-3-7-10-9/h1-5,9,15H,6-8H2,(H,13,14);1-7H
InChIKeyFACXFRODHBMWCU-UHFFFAOYSA-N
MW331.42 g/mol
LogP3.77
Rot. Bonds4

About 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline

2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline (PubChem CID 172709221) has the molecular formula C21H21N3O and a molecular weight of 331.42 g/mol. Its IUPAC name is 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline.

Molecular Properties

Compound Name2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline
PubChem CID172709221
Molecular FormulaC21H21N3O
Molecular Weight331.42 g/mol
Exact Mass331.17
IUPAC Name2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline
SMILESOCCc1ncc(Cc2ccccc2)[nH]1.c1ccc2ncccc2c1
InChIInChI=1S/C12H14N2O.C9H7N/c15-7-6-12-13-9-11(14-12)8-10-4-2-1-3-5-10;1-2-6-9-8(4-1)5-3-7-10-9/h1-5,9,15H,6-8H2,(H,13,14);1-7H
InChIKeyFACXFRODHBMWCU-UHFFFAOYSA-N
XLogP3.77
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 143401699
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CID 88761492

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline?
The IUPAC name of 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline (CID 172709221) is 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline.
What is the SMILES notation for 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline?
The canonical SMILES for 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline is OCCc1ncc(Cc2ccccc2)[nH]1.c1ccc2ncccc2c1.
What is the InChIKey of 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline?
The InChIKey is FACXFRODHBMWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O.C9H7N/c15-7-6-12-13-9-11(14-12)8-10-4-2-1-3-5-10;1-2-6-9-8(4-1)5-3-7-10-9/h1-5,9,15H,6-8H2,(H,13,14);1-7H.
What are the key properties of 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline?
2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline has a molecular weight of 331.42 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline is sourced from PubChem (CID 172709221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).