1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole

C11H16N2 — CID 142988848

IUPAC1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole
SMILESCC1C=CC=CC1C1=NCCN1C
InChIInChI=1S/C11H16N2/c1-9-5-3-4-6-10(9)11-12-7-8-13(11)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNKUOZRBKJNVROY-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.71
Rot. Bonds1

About 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole

1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole (PubChem CID 142988848) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole
PubChem CID142988848
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole
SMILESCC1C=CC=CC1C1=NCCN1C
InChIInChI=1S/C11H16N2/c1-9-5-3-4-6-10(9)11-12-7-8-13(11)2/h3-6,9-10H,7-8H2,1-2H3
InChIKeyNKUOZRBKJNVROY-UHFFFAOYSA-N
XLogP1.71
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole (CID 142988848) is 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole is CC1C=CC=CC1C1=NCCN1C.
What is the InChIKey of 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole?
The InChIKey is NKUOZRBKJNVROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-9-5-3-4-6-10(9)11-12-7-8-13(11)2/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole?
1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole has a molecular weight of 176.26 g/mol, XLogP of 1.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(6-methylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 142988848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).