1-(4-methylpent-1-enyl)-4,5-dihydroimidazole

C9H16N2 — CID 164767495

IUPAC1-(4-methylpent-1-enyl)-4,5-dihydroimidazole
SMILESCC(C)CC=CN1C=NCC1
InChIInChI=1S/C9H16N2/c1-9(2)4-3-6-11-7-5-10-8-11/h3,6,8-9H,4-5,7H2,1-2H3
InChIKeyPLEGBCZRQRMLKD-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.89
Rot. Bonds3

About 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole

1-(4-methylpent-1-enyl)-4,5-dihydroimidazole (PubChem CID 164767495) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4-methylpent-1-enyl)-4,5-dihydroimidazole
PubChem CID164767495
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-(4-methylpent-1-enyl)-4,5-dihydroimidazole
SMILESCC(C)CC=CN1C=NCC1
InChIInChI=1S/C9H16N2/c1-9(2)4-3-6-11-7-5-10-8-11/h3,6,8-9H,4-5,7H2,1-2H3
InChIKeyPLEGBCZRQRMLKD-UHFFFAOYSA-N
XLogP1.89
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole (CID 164767495) is 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole is CC(C)CC=CN1C=NCC1.
What is the InChIKey of 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole?
The InChIKey is PLEGBCZRQRMLKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2)4-3-6-11-7-5-10-8-11/h3,6,8-9H,4-5,7H2,1-2H3.
What are the key properties of 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole?
1-(4-methylpent-1-enyl)-4,5-dihydroimidazole has a molecular weight of 152.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpent-1-enyl)-4,5-dihydroimidazole is sourced from PubChem (CID 164767495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).