5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole

C10H12N2 — CID 123707810

IUPAC5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole
SMILESCc1ncc(C2=CC=CCC2)[nH]1
InChIInChI=1S/C10H12N2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3,(H,11,12)
InChIKeyJLDPLBHOMASJCU-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.45
Rot. Bonds1

About 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole

5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole (PubChem CID 123707810) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole
PubChem CID123707810
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole
SMILESCc1ncc(C2=CC=CCC2)[nH]1
InChIInChI=1S/C10H12N2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3,(H,11,12)
InChIKeyJLDPLBHOMASJCU-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole (CID 123707810) is 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole is Cc1ncc(C2=CC=CCC2)[nH]1.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole?
The InChIKey is JLDPLBHOMASJCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-8-11-7-10(12-8)9-5-3-2-4-6-9/h2-3,5,7H,4,6H2,1H3,(H,11,12).
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole?
5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole has a molecular weight of 160.22 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-2-methyl-1H-imidazole is sourced from PubChem (CID 123707810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).