2-pent-1-enyl-1H-imidazole

C8H12N2 — CID 57076372

IUPAC2-pent-1-enyl-1H-imidazole
SMILESCCCC=Cc1ncc[nH]1
InChIInChI=1S/C8H12N2/c1-2-3-4-5-8-9-6-7-10-8/h4-7H,2-3H2,1H3,(H,9,10)
InChIKeyRTERVUKQRLFGBG-UHFFFAOYSA-N
MW136.20 g/mol
LogP2.22
Rot. Bonds3

About 2-pent-1-enyl-1H-imidazole

2-pent-1-enyl-1H-imidazole (PubChem CID 57076372) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-pent-1-enyl-1H-imidazole.

Molecular Properties

Compound Name2-pent-1-enyl-1H-imidazole
PubChem CID57076372
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-pent-1-enyl-1H-imidazole
SMILESCCCC=Cc1ncc[nH]1
InChIInChI=1S/C8H12N2/c1-2-3-4-5-8-9-6-7-10-8/h4-7H,2-3H2,1H3,(H,9,10)
InChIKeyRTERVUKQRLFGBG-UHFFFAOYSA-N
XLogP2.22
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-pent-1-enyl-1H-imidazole?
The IUPAC name of 2-pent-1-enyl-1H-imidazole (CID 57076372) is 2-pent-1-enyl-1H-imidazole.
What is the SMILES notation for 2-pent-1-enyl-1H-imidazole?
The canonical SMILES for 2-pent-1-enyl-1H-imidazole is CCCC=Cc1ncc[nH]1.
What is the InChIKey of 2-pent-1-enyl-1H-imidazole?
The InChIKey is RTERVUKQRLFGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-3-4-5-8-9-6-7-10-8/h4-7H,2-3H2,1H3,(H,9,10).
What are the key properties of 2-pent-1-enyl-1H-imidazole?
2-pent-1-enyl-1H-imidazole has a molecular weight of 136.20 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pent-1-enyl-1H-imidazole is sourced from PubChem (CID 57076372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).