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

C24H22N6 — CID 50950062

IUPAC2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
SMILESCCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1ccc2ccccc2n1
InChIInChI=1S/C24H22N6/c1-2-29-17-26-28-22(29)14-15-30-16-25-23(19-9-4-3-5-10-19)24(30)21-13-12-18-8-6-7-11-20(18)27-21/h3-13,16-17H,2,14-15H2,1H3
InChIKeyDKGOUGGGMYDTOW-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.62
Rot. Bonds6

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

2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline (PubChem CID 50950062) has the molecular formula C24H22N6 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline.

Molecular Properties

Compound Name2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
PubChem CID50950062
Molecular FormulaC24H22N6
Molecular Weight394.48 g/mol
Exact Mass394.19
IUPAC Name2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
SMILESCCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1ccc2ccccc2n1
InChIInChI=1S/C24H22N6/c1-2-29-17-26-28-22(29)14-15-30-16-25-23(19-9-4-3-5-10-19)24(30)21-13-12-18-8-6-7-11-20(18)27-21/h3-13,16-17H,2,14-15H2,1H3
InChIKeyDKGOUGGGMYDTOW-UHFFFAOYSA-N
XLogP4.62
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[2-(4-methyltriazol-1-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
CID 50979039
4,5-diphenyl-1-propylimidazole
CID 14950648
2-[3-[5-(2-ethylpyrimidin-4-yl)-4-phenylimidazol-1-yl]propyl]phenol
CID 50981552
4-[3-(2-ethoxyethyl)-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
CID 50970354
N-[2-[5-(1-ethylpyrazol-3-yl)-4-phenylimidazol-1-yl]ethyl]-N-methylmethanesulfonamide
CID 50952711
3-[2-(4,5-diphenylimidazol-1-yl)ethyl]-4-(4-methylphenyl)-1H-1,2,4-triazole-5-thione
CID 1212037
4-ethyl-3-[2-(2-methylphenyl)ethyl]-1,2,4-triazole
CID 115394754
2-[4-(3-butyl-5-phenylimidazol-4-yl)phenoxy]acetamide
CID 50984888
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-1H-benzimidazol-2-amine
CID 133410346
3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
CID 50977151
3,4-bis(2-phenylethyl)-1,2,4-triazole
CID 141167257
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-2-methyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 70707398

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The IUPAC name of 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline (CID 50950062) is 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline.
What is the SMILES notation for 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The canonical SMILES for 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline is CCn1cnnc1CCn1cnc(-c2ccccc2)c1-c1ccc2ccccc2n1.
What is the InChIKey of 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
The InChIKey is DKGOUGGGMYDTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6/c1-2-29-17-26-28-22(29)14-15-30-16-25-23(19-9-4-3-5-10-19)24(30)21-13-12-18-8-6-7-11-20(18)27-21/h3-13,16-17H,2,14-15H2,1H3.
What are the key properties of 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline?
2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline has a molecular weight of 394.48 g/mol, XLogP of 4.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-5-phenylimidazol-4-yl]quinoline is sourced from PubChem (CID 50950062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).