1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole

C15H26N2 — CID 169322221

IUPAC1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole
SMILESCC(C)c1cnc(C2CCCC2)n1C(C)(C)C
InChIInChI=1S/C15H26N2/c1-11(2)13-10-16-14(12-8-6-7-9-12)17(13)15(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyMQNNXWYXWAPXSK-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.42
Rot. Bonds2

About 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole

1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole (PubChem CID 169322221) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole.

Molecular Properties

Compound Name1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole
PubChem CID169322221
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole
SMILESCC(C)c1cnc(C2CCCC2)n1C(C)(C)C
InChIInChI=1S/C15H26N2/c1-11(2)13-10-16-14(12-8-6-7-9-12)17(13)15(3,4)5/h10-12H,6-9H2,1-5H3
InChIKeyMQNNXWYXWAPXSK-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole?
The IUPAC name of 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole (CID 169322221) is 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole.
What is the SMILES notation for 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole?
The canonical SMILES for 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole is CC(C)c1cnc(C2CCCC2)n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole?
The InChIKey is MQNNXWYXWAPXSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-11(2)13-10-16-14(12-8-6-7-9-12)17(13)15(3,4)5/h10-12H,6-9H2,1-5H3.
What are the key properties of 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole?
1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole has a molecular weight of 234.39 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-cyclopentyl-5-propan-2-ylimidazole is sourced from PubChem (CID 169322221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).