3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole

C10H16N2 — CID 123312462

IUPAC3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole
SMILESC=CC(=C(C)C)C1N=CCN1C
InChIInChI=1S/C10H16N2/c1-5-9(8(2)3)10-11-6-7-12(10)4/h5-6,10H,1,7H2,2-4H3
InChIKeyXBACOBUYDWJWGN-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.85
Rot. Bonds2

About 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole

3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole (PubChem CID 123312462) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole.

Molecular Properties

Compound Name3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole
PubChem CID123312462
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole
SMILESC=CC(=C(C)C)C1N=CCN1C
InChIInChI=1S/C10H16N2/c1-5-9(8(2)3)10-11-6-7-12(10)4/h5-6,10H,1,7H2,2-4H3
InChIKeyXBACOBUYDWJWGN-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-N-[(methylideneamino)methyl]hepta-2,4-dien-1-amine
CID 90796897
1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 130335699
ethane;(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
CID 143449322
(Z)-3-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N-methylprop-2-en-1-imine;ethane
CID 144261265
ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 145001459
ethane;1-(4-ethenyl-1-methyl-2,5-dihydropyrrol-3-yl)-N-methylmethanimine
CID 155590146
(1Z)-1-[(Z)-ethylideneamino]-2-methyl-N,N-dipropylbuta-1,3-dien-1-amine
CID 143449323
(Z)-3-(1,4-dimethyl-2,5-dihydropyrrol-3-yl)-N-methylprop-2-en-1-imine
CID 144261266

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole?
The IUPAC name of 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole (CID 123312462) is 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole.
What is the SMILES notation for 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole?
The canonical SMILES for 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole is C=CC(=C(C)C)C1N=CCN1C.
What is the InChIKey of 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole?
The InChIKey is XBACOBUYDWJWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(8(2)3)10-11-6-7-12(10)4/h5-6,10H,1,7H2,2-4H3.
What are the key properties of 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole?
3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole has a molecular weight of 164.25 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-methylpenta-1,3-dien-3-yl)-2,4-dihydroimidazole is sourced from PubChem (CID 123312462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).