2-ethenyl-5-(2-methylpropyl)-1H-imidazole

C9H14N2 — CID 130271996

IUPAC2-ethenyl-5-(2-methylpropyl)-1H-imidazole
SMILESC=Cc1ncc(CC(C)C)[nH]1
InChIInChI=1S/C9H14N2/c1-4-9-10-6-8(11-9)5-7(2)3/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKeyMQRZRSNUZIJBMQ-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.25
Rot. Bonds3

About 2-ethenyl-5-(2-methylpropyl)-1H-imidazole

2-ethenyl-5-(2-methylpropyl)-1H-imidazole (PubChem CID 130271996) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-ethenyl-5-(2-methylpropyl)-1H-imidazole.

Molecular Properties

Compound Name2-ethenyl-5-(2-methylpropyl)-1H-imidazole
PubChem CID130271996
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-ethenyl-5-(2-methylpropyl)-1H-imidazole
SMILESC=Cc1ncc(CC(C)C)[nH]1
InChIInChI=1S/C9H14N2/c1-4-9-10-6-8(11-9)5-7(2)3/h4,6-7H,1,5H2,2-3H3,(H,10,11)
InChIKeyMQRZRSNUZIJBMQ-UHFFFAOYSA-N
XLogP2.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-(2-methylpropyl)-1H-imidazole?
The IUPAC name of 2-ethenyl-5-(2-methylpropyl)-1H-imidazole (CID 130271996) is 2-ethenyl-5-(2-methylpropyl)-1H-imidazole.
What is the SMILES notation for 2-ethenyl-5-(2-methylpropyl)-1H-imidazole?
The canonical SMILES for 2-ethenyl-5-(2-methylpropyl)-1H-imidazole is C=Cc1ncc(CC(C)C)[nH]1.
What is the InChIKey of 2-ethenyl-5-(2-methylpropyl)-1H-imidazole?
The InChIKey is MQRZRSNUZIJBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-9-10-6-8(11-9)5-7(2)3/h4,6-7H,1,5H2,2-3H3,(H,10,11).
What are the key properties of 2-ethenyl-5-(2-methylpropyl)-1H-imidazole?
2-ethenyl-5-(2-methylpropyl)-1H-imidazole has a molecular weight of 150.22 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-(2-methylpropyl)-1H-imidazole is sourced from PubChem (CID 130271996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).