2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine

C17H23N3 — CID 62221346

IUPAC2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C2CCCC2)nc(-c2ccccc2)c1N
InChIInChI=1S/C17H23N3/c1-12(2)20-16(18)15(13-8-4-3-5-9-13)19-17(20)14-10-6-7-11-14/h3-5,8-9,12,14H,6-7,10-11,18H2,1-2H3
InChIKeyZUNPMTFZFJVZLM-UHFFFAOYSA-N
MW269.39 g/mol
LogP4.37
Rot. Bonds3

About 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine

2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine (PubChem CID 62221346) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine
PubChem CID62221346
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine
SMILESCC(C)n1c(C2CCCC2)nc(-c2ccccc2)c1N
InChIInChI=1S/C17H23N3/c1-12(2)20-16(18)15(13-8-4-3-5-9-13)19-17(20)14-10-6-7-11-14/h3-5,8-9,12,14H,6-7,10-11,18H2,1-2H3
InChIKeyZUNPMTFZFJVZLM-UHFFFAOYSA-N
XLogP4.37
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine (CID 62221346) is 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine is CC(C)n1c(C2CCCC2)nc(-c2ccccc2)c1N.
What is the InChIKey of 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine?
The InChIKey is ZUNPMTFZFJVZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12(2)20-16(18)15(13-8-4-3-5-9-13)19-17(20)14-10-6-7-11-14/h3-5,8-9,12,14H,6-7,10-11,18H2,1-2H3.
What are the key properties of 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine?
2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine has a molecular weight of 269.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-phenyl-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62221346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).