2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline

C23H20N6 — CID 50979039

IUPAC2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
SMILESCc1cn(CCn2cnc(-c3ccccc3)c2-c2ccc3ccccc3n2)nn1
InChIInChI=1S/C23H20N6/c1-17-15-29(27-26-17)14-13-28-16-24-22(19-8-3-2-4-9-19)23(28)21-12-11-18-7-5-6-10-20(18)25-21/h2-12,15-16H,13-14H2,1H3
InChIKeyHCABVNRLNWCTAQ-UHFFFAOYSA-N
MW380.46 g/mol
LogP4.37
Rot. Bonds5

About 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline

2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline (PubChem CID 50979039) has the molecular formula C23H20N6 and a molecular weight of 380.46 g/mol. Its IUPAC name is 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline.

Molecular Properties

Compound Name2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
PubChem CID50979039
Molecular FormulaC23H20N6
Molecular Weight380.46 g/mol
Exact Mass380.17
IUPAC Name2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
SMILESCc1cn(CCn2cnc(-c3ccccc3)c2-c2ccc3ccccc3n2)nn1
InChIInChI=1S/C23H20N6/c1-17-15-29(27-26-17)14-13-28-16-24-22(19-8-3-2-4-9-19)23(28)21-12-11-18-7-5-6-10-20(18)25-21/h2-12,15-16H,13-14H2,1H3
InChIKeyHCABVNRLNWCTAQ-UHFFFAOYSA-N
XLogP4.37
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The IUPAC name of 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline (CID 50979039) is 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline.
What is the SMILES notation for 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The canonical SMILES for 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline is Cc1cn(CCn2cnc(-c3ccccc3)c2-c2ccc3ccccc3n2)nn1.
What is the InChIKey of 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The InChIKey is HCABVNRLNWCTAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N6/c1-17-15-29(27-26-17)14-13-28-16-24-22(19-8-3-2-4-9-19)23(28)21-12-11-18-7-5-6-10-20(18)25-21/h2-12,15-16H,13-14H2,1H3.
What are the key properties of 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline has a molecular weight of 380.46 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline is sourced from PubChem (CID 50979039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).