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

C21H17N3 — CID 71203905

IUPAC2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline
SMILESCn1cc(-c2ccccc2)nc1/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C21H17N3/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/h2-15H,1H3/b14-13+
InChIKeyHDGBVJXWNUNDLY-BUHFOSPRSA-N
MW311.39 g/mol
LogP4.81
Rot. Bonds3

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

2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline (PubChem CID 71203905) has the molecular formula C21H17N3 and a molecular weight of 311.39 g/mol. Its IUPAC name is 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline.

Molecular Properties

Compound Name2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline
PubChem CID71203905
Molecular FormulaC21H17N3
Molecular Weight311.39 g/mol
Exact Mass311.14
IUPAC Name2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline
SMILESCn1cc(-c2ccccc2)nc1/C=C/c1ccc2ccccc2n1
InChIInChI=1S/C21H17N3/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/h2-15H,1H3/b14-13+
InChIKeyHDGBVJXWNUNDLY-BUHFOSPRSA-N
XLogP4.81
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Imiquimod
CID 57469
2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
2-Amino-3-methylimidazo(4,5-f)quinoline
CID 53462
Mavorixafor
CID 11256587
2-(Hydroxyamino)-1-methyl-6-phenylimidazo(4,5-b)pyridine
CID 104954
CR-4056
CID 24898732
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
Florquinitau
CID 118577045
N-benzyl-2-(pyridin-3-yl)quinazolin-4-amine
CID 667555
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
SB-525334
CID 9967941
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline?
The IUPAC name of 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline (CID 71203905) is 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline.
What is the SMILES notation for 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline?
The canonical SMILES for 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline is Cn1cc(-c2ccccc2)nc1/C=C/c1ccc2ccccc2n1.
What is the InChIKey of 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline?
The InChIKey is HDGBVJXWNUNDLY-BUHFOSPRSA-N. The full InChI is InChI=1S/C21H17N3/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/h2-15H,1H3/b14-13+.
What are the key properties of 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline?
2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline has a molecular weight of 311.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(1-methyl-4-phenylimidazol-2-yl)ethenyl]quinoline is sourced from PubChem (CID 71203905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).