2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline

C24H25N3O — CID 174406790

IUPAC2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline
SMILESC=CCc1nc(CCO)[nH]c1Cc1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C15H18N2O.C9H7N/c1-2-6-13-14(17-15(16-13)9-10-18)11-12-7-4-3-5-8-12;1-2-6-9-8(4-1)5-3-7-10-9/h2-5,7-8,18H,1,6,9-11H2,(H,16,17);1-7H
InChIKeySSQQGONTVXSKFR-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.50
Rot. Bonds6

About 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline

2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline (PubChem CID 174406790) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline.

Molecular Properties

Compound Name2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline
PubChem CID174406790
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline
SMILESC=CCc1nc(CCO)[nH]c1Cc1ccccc1.c1ccc2ncccc2c1
InChIInChI=1S/C15H18N2O.C9H7N/c1-2-6-13-14(17-15(16-13)9-10-18)11-12-7-4-3-5-8-12;1-2-6-9-8(4-1)5-3-7-10-9/h2-5,7-8,18H,1,6,9-11H2,(H,16,17);1-7H
InChIKeySSQQGONTVXSKFR-UHFFFAOYSA-N
XLogP4.50
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-benzyl-1H-imidazol-2-yl)ethanol;quinoline
CID 172709221
benzylbenzene;quinoline
CID 157081554
5-prop-2-enyl-1H-imidazol-2-amine;quinoline
CID 174554817
2-[2-(2-hydroxyethyl)-1H-imidazol-5-yl]acetic acid;quinoline
CID 162245224
2-(5-methyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol
CID 174372836
propan-1-ol;quinoline
CID 160910097
prop-1-ene;quinoline
CID 159640565
quinoline
CID 76974643
bromomethylbenzene;quinoline
CID 23497775
3-hydroxypropanal;quinoline
CID 174335574
carbonic acid;quinoline
CID 23206844
ethane;ethylbenzene;quinoline
CID 143401699

Frequently Asked Questions

What is the IUPAC name of 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline?
The IUPAC name of 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline (CID 174406790) is 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline.
What is the SMILES notation for 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline?
The canonical SMILES for 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline is C=CCc1nc(CCO)[nH]c1Cc1ccccc1.c1ccc2ncccc2c1.
What is the InChIKey of 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline?
The InChIKey is SSQQGONTVXSKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O.C9H7N/c1-2-6-13-14(17-15(16-13)9-10-18)11-12-7-4-3-5-8-12;1-2-6-9-8(4-1)5-3-7-10-9/h2-5,7-8,18H,1,6,9-11H2,(H,16,17);1-7H.
What are the key properties of 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline?
2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline has a molecular weight of 371.48 g/mol, XLogP of 4.50, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-benzyl-4-prop-2-enyl-1H-imidazol-2-yl)ethanol;quinoline is sourced from PubChem (CID 174406790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).