2-(cyclopenten-1-yl)-1-propan-2-ylimidazole

C11H16N2 — CID 58415684

IUPAC2-(cyclopenten-1-yl)-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1C1=CCCC1
InChIInChI=1S/C11H16N2/c1-9(2)13-8-7-12-11(13)10-5-3-4-6-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyBIRTVKPZJPLLSR-UHFFFAOYSA-N
MW176.26 g/mol
LogP3.03
Rot. Bonds2

About 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole

2-(cyclopenten-1-yl)-1-propan-2-ylimidazole (PubChem CID 58415684) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-1-propan-2-ylimidazole
PubChem CID58415684
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-(cyclopenten-1-yl)-1-propan-2-ylimidazole
SMILESCC(C)n1ccnc1C1=CCCC1
InChIInChI=1S/C11H16N2/c1-9(2)13-8-7-12-11(13)10-5-3-4-6-10/h5,7-9H,3-4,6H2,1-2H3
InChIKeyBIRTVKPZJPLLSR-UHFFFAOYSA-N
XLogP3.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole?
The IUPAC name of 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole (CID 58415684) is 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole.
What is the SMILES notation for 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole?
The canonical SMILES for 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole is CC(C)n1ccnc1C1=CCCC1.
What is the InChIKey of 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole?
The InChIKey is BIRTVKPZJPLLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)13-8-7-12-11(13)10-5-3-4-6-10/h5,7-9H,3-4,6H2,1-2H3.
What are the key properties of 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole?
2-(cyclopenten-1-yl)-1-propan-2-ylimidazole has a molecular weight of 176.26 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-1-propan-2-ylimidazole is sourced from PubChem (CID 58415684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).