1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole

C11H16N2 — CID 154002489

IUPAC1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
SMILESCC1(CN2C=NCC2)C=CC=CC1
InChIInChI=1S/C11H16N2/c1-11(5-3-2-4-6-11)9-13-8-7-12-10-13/h2-5,10H,6-9H2,1H3
InChIKeyZHSXONLXKINWCW-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.85
Rot. Bonds2

About 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole

1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole (PubChem CID 154002489) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
PubChem CID154002489
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole
SMILESCC1(CN2C=NCC2)C=CC=CC1
InChIInChI=1S/C11H16N2/c1-11(5-3-2-4-6-11)9-13-8-7-12-10-13/h2-5,10H,6-9H2,1H3
InChIKeyZHSXONLXKINWCW-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The IUPAC name of 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole (CID 154002489) is 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole.
What is the SMILES notation for 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The canonical SMILES for 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole is CC1(CN2C=NCC2)C=CC=CC1.
What is the InChIKey of 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
The InChIKey is ZHSXONLXKINWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-11(5-3-2-4-6-11)9-13-8-7-12-10-13/h2-5,10H,6-9H2,1H3.
What are the key properties of 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole?
1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole has a molecular weight of 176.26 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 1-[(1-methylcyclohexa-2,4-dien-1-yl)methyl]-4,5-dihydroimidazole is sourced from PubChem (CID 154002489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).