2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole

C11H14N2 — CID 123593959

IUPAC2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole
SMILESCC1=CC=C(c2cnc(C)[nH]2)CC1
InChIInChI=1S/C11H14N2/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-11/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyXZDWYNUQEOPUAL-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.84
Rot. Bonds1

About 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole

2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole (PubChem CID 123593959) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole.

Molecular Properties

Compound Name2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole
PubChem CID123593959
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole
SMILESCC1=CC=C(c2cnc(C)[nH]2)CC1
InChIInChI=1S/C11H14N2/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-11/h3,5,7H,4,6H2,1-2H3,(H,12,13)
InChIKeyXZDWYNUQEOPUAL-UHFFFAOYSA-N
XLogP2.84
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole?
The IUPAC name of 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole (CID 123593959) is 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole.
What is the SMILES notation for 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole?
The canonical SMILES for 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole is CC1=CC=C(c2cnc(C)[nH]2)CC1.
What is the InChIKey of 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole?
The InChIKey is XZDWYNUQEOPUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8-3-5-10(6-4-8)11-7-12-9(2)13-11/h3,5,7H,4,6H2,1-2H3,(H,12,13).
What are the key properties of 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole?
2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole has a molecular weight of 174.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylcyclohexa-1,3-dien-1-yl)-1H-imidazole is sourced from PubChem (CID 123593959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).