1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline

C21H19N3 — CID 59385110

IUPAC1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline
SMILESCCCc1[nH]c(-c2nccc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C21H19N3/c1-2-8-18-19(16-10-4-3-5-11-16)24-21(23-18)20-17-12-7-6-9-15(17)13-14-22-20/h3-7,9-14H,2,8H2,1H3,(H,23,24)
InChIKeyGPYBXFUYVBIWEU-UHFFFAOYSA-N
MW313.40 g/mol
LogP5.24
Rot. Bonds4

About 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline

1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline (PubChem CID 59385110) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline.

Molecular Properties

Compound Name1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline
PubChem CID59385110
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline
SMILESCCCc1[nH]c(-c2nccc3ccccc23)nc1-c1ccccc1
InChIInChI=1S/C21H19N3/c1-2-8-18-19(16-10-4-3-5-11-16)24-21(23-18)20-17-12-7-6-9-15(17)13-14-22-20/h3-7,9-14H,2,8H2,1H3,(H,23,24)
InChIKeyGPYBXFUYVBIWEU-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.40
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475233
carbanide;iridium;1-phenylisoquinoline
CID 166502152
1-(4-ethylphenyl)isoquinoline
CID 58184660
bis(iridium);tris(1-phenylisoquinoline);tris(2-phenylpyridine)
CID 159285657
5-(2-fluoroethyl)-2-(4-fluorophenyl)-4-phenyl-1H-imidazole
CID 13470703
1-(3-butyl-4-fluorophenyl)isoquinoline
CID 140726966
1-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-isoquinolin-1-ylphenyl]isoquinoline
CID 118582323
1-[4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(4-phenylphenyl)phenyl]phenyl]isoquinoline
CID 90401606
1-[4-[3-(4-isoquinolin-1-ylphenyl)-5-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]isoquinoline
CID 163990353
1-[4-(4-naphthalen-2-yl-6-phenylpyrimidin-2-yl)phenyl]isoquinoline
CID 58462262
5-benzyl-2,4-diphenyl-1H-imidazole
CID 175414335
2-(4-fluorophenyl)-5-(methoxymethyl)-4-phenyl-1H-imidazole
CID 59384984

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline?
The IUPAC name of 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline (CID 59385110) is 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline.
What is the SMILES notation for 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline?
The canonical SMILES for 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline is CCCc1[nH]c(-c2nccc3ccccc23)nc1-c1ccccc1.
What is the InChIKey of 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline?
The InChIKey is GPYBXFUYVBIWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-2-8-18-19(16-10-4-3-5-11-16)24-21(23-18)20-17-12-7-6-9-15(17)13-14-22-20/h3-7,9-14H,2,8H2,1H3,(H,23,24).
What are the key properties of 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline?
1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline has a molecular weight of 313.40 g/mol, XLogP of 5.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenyl-5-propyl-1H-imidazol-2-yl)isoquinoline is sourced from PubChem (CID 59385110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).