5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine

C24H33N3 — CID 90666618

IUPAC5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C23CC4CC(CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1
InChIInChI=1S/C24H33N3/c25-22-26-15-21(27(22)20-8-2-1-3-9-20)24-13-17-10-18(14-24)12-23(11-17,16-24)19-6-4-5-7-19/h1-3,8-9,17-19,21H,4-7,10-16H2,(H2,25,26)
InChIKeyIUQUPAYQCWKZPU-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.97
Rot. Bonds3

About 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine

5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine (PubChem CID 90666618) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine
PubChem CID90666618
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine
SMILESNC1=NCC(C23CC4CC(CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1
InChIInChI=1S/C24H33N3/c25-22-26-15-21(27(22)20-8-2-1-3-9-20)24-13-17-10-18(14-24)12-23(11-17,16-24)19-6-4-5-7-19/h1-3,8-9,17-19,21H,4-7,10-16H2,(H2,25,26)
InChIKeyIUQUPAYQCWKZPU-UHFFFAOYSA-N
XLogP4.97
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine (CID 90666618) is 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine is NC1=NCC(C23CC4CC(CC(C5CCCC5)(C4)C2)C3)N1c1ccccc1.
What is the InChIKey of 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine?
The InChIKey is IUQUPAYQCWKZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c25-22-26-15-21(27(22)20-8-2-1-3-9-20)24-13-17-10-18(14-24)12-23(11-17,16-24)19-6-4-5-7-19/h1-3,8-9,17-19,21H,4-7,10-16H2,(H2,25,26).
What are the key properties of 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine?
5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine has a molecular weight of 363.55 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopentyl-1-adamantyl)-1-phenyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 90666618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).