2-pentan-3-yl-4,5-diphenyl-1H-imidazole

C20H22N2 — CID 91665567

IUPAC2-pentan-3-yl-4,5-diphenyl-1H-imidazole
SMILESCCC(CC)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C20H22N2/c1-3-15(4-2)20-21-18(16-11-7-5-8-12-16)19(22-20)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3,(H,21,22)
InChIKeyJHZCZVCXEUAAMI-UHFFFAOYSA-N
MW290.41 g/mol
LogP5.65
Rot. Bonds5

About 2-pentan-3-yl-4,5-diphenyl-1H-imidazole

2-pentan-3-yl-4,5-diphenyl-1H-imidazole (PubChem CID 91665567) has the molecular formula C20H22N2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-pentan-3-yl-4,5-diphenyl-1H-imidazole.

Molecular Properties

Compound Name2-pentan-3-yl-4,5-diphenyl-1H-imidazole
PubChem CID91665567
Molecular FormulaC20H22N2
Molecular Weight290.41 g/mol
Exact Mass290.18
IUPAC Name2-pentan-3-yl-4,5-diphenyl-1H-imidazole
SMILESCCC(CC)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C20H22N2/c1-3-15(4-2)20-21-18(16-11-7-5-8-12-16)19(22-20)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3,(H,21,22)
InChIKeyJHZCZVCXEUAAMI-UHFFFAOYSA-N
XLogP5.65
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.41
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

CID 12132
CID 12132
CID 12855
CID 12855
CID 10232
CID 10232
CID 69588
CID 69588
CID 101259
CID 101259
CID 10910992
CID 10910992
CID 79869
CID 79869
CID 345677
CID 345677
CID 236696
CID 236696
CID 11617054
CID 11617054
CID 71336
CID 71336
CID 200946
CID 200946

Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-4,5-diphenyl-1H-imidazole?
The IUPAC name of 2-pentan-3-yl-4,5-diphenyl-1H-imidazole (CID 91665567) is 2-pentan-3-yl-4,5-diphenyl-1H-imidazole.
What is the SMILES notation for 2-pentan-3-yl-4,5-diphenyl-1H-imidazole?
The canonical SMILES for 2-pentan-3-yl-4,5-diphenyl-1H-imidazole is CCC(CC)c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of 2-pentan-3-yl-4,5-diphenyl-1H-imidazole?
The InChIKey is JHZCZVCXEUAAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2/c1-3-15(4-2)20-21-18(16-11-7-5-8-12-16)19(22-20)17-13-9-6-10-14-17/h5-15H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 2-pentan-3-yl-4,5-diphenyl-1H-imidazole?
2-pentan-3-yl-4,5-diphenyl-1H-imidazole has a molecular weight of 290.41 g/mol, XLogP of 5.65, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-4,5-diphenyl-1H-imidazole is sourced from PubChem (CID 91665567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).