2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline

C21H19N3 — CID 70648564

IUPAC2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline
SMILESCn1cc(-c2ccccc2)nc1CCc1ccc2ccccc2n1
InChIInChI=1S/C21H19N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18/h2-12,15H,13-14H2,1H3
InChIKeyIQXLHLPDOHCJMU-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.42
Rot. Bonds4

About 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline

2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline (PubChem CID 70648564) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline.

Molecular Properties

Compound Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline
PubChem CID70648564
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline
SMILESCn1cc(-c2ccccc2)nc1CCc1ccc2ccccc2n1
InChIInChI=1S/C21H19N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18/h2-12,15H,13-14H2,1H3
InChIKeyIQXLHLPDOHCJMU-UHFFFAOYSA-N
XLogP4.42
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline?
The IUPAC name of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline (CID 70648564) is 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline.
What is the SMILES notation for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline?
The canonical SMILES for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline is Cn1cc(-c2ccccc2)nc1CCc1ccc2ccccc2n1.
What is the InChIKey of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline?
The InChIKey is IQXLHLPDOHCJMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-24-15-20(16-7-3-2-4-8-16)23-21(24)14-13-18-12-11-17-9-5-6-10-19(17)22-18/h2-12,15H,13-14H2,1H3.
What are the key properties of 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline?
2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline has a molecular weight of 313.40 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methyl-4-phenylimidazol-2-yl)ethyl]quinoline is sourced from PubChem (CID 70648564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).