1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine

C37H56N4 — CID 160731883

IUPAC1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)c1ccc(-c2ccc(-c3cnc(C(C)C)n3C)cc2)cc1
InChIInChI=1S/C22H26N2.C15H30N2/c1-15(2)17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23-22(16(3)4)24(21)5;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4/h6-16H,1-5H3;12-15H,5-11H2,1-4H3
InChIKeyRULJDAMKKIFTEO-UHFFFAOYSA-N
MW556.88 g/mol
LogP8.84
Rot. Bonds7

About 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine

1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine (PubChem CID 160731883) has the molecular formula C37H56N4 and a molecular weight of 556.88 g/mol. Its IUPAC name is 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine.

Molecular Properties

Compound Name1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
PubChem CID160731883
Molecular FormulaC37H56N4
Molecular Weight556.88 g/mol
Exact Mass556.45
IUPAC Name1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)c1ccc(-c2ccc(-c3cnc(C(C)C)n3C)cc2)cc1
InChIInChI=1S/C22H26N2.C15H30N2/c1-15(2)17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23-22(16(3)4)24(21)5;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4/h6-16H,1-5H3;12-15H,5-11H2,1-4H3
InChIKeyRULJDAMKKIFTEO-UHFFFAOYSA-N
XLogP8.84
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.88
LogP ≤ 58.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

PF-670462
CID 51049607
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
SB-216995
CID 5171
1-methyl-5-(2-naphthyl)-1H-imidazole
CID 11550235
1-phenyl-2-(p-tolyl)-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-1-ium bromide
CID 16682272
1-Methyl-5-phenyl-1H-imidazole
CID 3746343
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339
2-Hexyl-5-[4-(2-methylpropyl)phenyl]-1H-imidazole
CID 9795821
2-hexyl-5-(4-phenylphenyl)-1H-imidazole
CID 9922499

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
The IUPAC name of 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine (CID 160731883) is 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine.
What is the SMILES notation for 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
The canonical SMILES for 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine is CC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)c1ccc(-c2ccc(-c3cnc(C(C)C)n3C)cc2)cc1.
What is the InChIKey of 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
The InChIKey is RULJDAMKKIFTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2.C15H30N2/c1-15(2)17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23-22(16(3)4)24(21)5;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4/h6-16H,1-5H3;12-15H,5-11H2,1-4H3.
What are the key properties of 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine has a molecular weight of 556.88 g/mol, XLogP of 8.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine is sourced from PubChem (CID 160731883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).