2-methyl-5-pent-2-en-3-yl-1H-imidazole

C9H14N2 — CID 123556197

IUPAC2-methyl-5-pent-2-en-3-yl-1H-imidazole
SMILESCC=C(CC)c1cnc(C)[nH]1
InChIInChI=1S/C9H14N2/c1-4-8(5-2)9-6-10-7(3)11-9/h4,6H,5H2,1-3H3,(H,10,11)
InChIKeyKILSZRVHODIOOW-UHFFFAOYSA-N
MW150.22 g/mol
LogP2.53
Rot. Bonds2

About 2-methyl-5-pent-2-en-3-yl-1H-imidazole

2-methyl-5-pent-2-en-3-yl-1H-imidazole (PubChem CID 123556197) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-methyl-5-pent-2-en-3-yl-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-pent-2-en-3-yl-1H-imidazole
PubChem CID123556197
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-methyl-5-pent-2-en-3-yl-1H-imidazole
SMILESCC=C(CC)c1cnc(C)[nH]1
InChIInChI=1S/C9H14N2/c1-4-8(5-2)9-6-10-7(3)11-9/h4,6H,5H2,1-3H3,(H,10,11)
InChIKeyKILSZRVHODIOOW-UHFFFAOYSA-N
XLogP2.53
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pent-2-en-3-yl-1H-imidazole?
The IUPAC name of 2-methyl-5-pent-2-en-3-yl-1H-imidazole (CID 123556197) is 2-methyl-5-pent-2-en-3-yl-1H-imidazole.
What is the SMILES notation for 2-methyl-5-pent-2-en-3-yl-1H-imidazole?
The canonical SMILES for 2-methyl-5-pent-2-en-3-yl-1H-imidazole is CC=C(CC)c1cnc(C)[nH]1.
What is the InChIKey of 2-methyl-5-pent-2-en-3-yl-1H-imidazole?
The InChIKey is KILSZRVHODIOOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-8(5-2)9-6-10-7(3)11-9/h4,6H,5H2,1-3H3,(H,10,11).
What are the key properties of 2-methyl-5-pent-2-en-3-yl-1H-imidazole?
2-methyl-5-pent-2-en-3-yl-1H-imidazole has a molecular weight of 150.22 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pent-2-en-3-yl-1H-imidazole is sourced from PubChem (CID 123556197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).