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

C10H14N2 — CID 123159780

IUPAC2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole
SMILESCC1=CC=C(C2=NCCN2)CC1
InChIInChI=1S/C10H14N2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2,4H,3,5-7H2,1H3,(H,11,12)
InChIKeyCZHUHWBMPQXBRC-UHFFFAOYSA-N
MW162.24 g/mol
LogP1.65
Rot. Bonds1

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

2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole (PubChem CID 123159780) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole
PubChem CID123159780
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole
SMILESCC1=CC=C(C2=NCCN2)CC1
InChIInChI=1S/C10H14N2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2,4H,3,5-7H2,1H3,(H,11,12)
InChIKeyCZHUHWBMPQXBRC-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole (CID 123159780) is 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole is CC1=CC=C(C2=NCCN2)CC1.
What is the InChIKey of 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is CZHUHWBMPQXBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2/c1-8-2-4-9(5-3-8)10-11-6-7-12-10/h2,4H,3,5-7H2,1H3,(H,11,12).
What are the key properties of 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole?
2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 162.24 g/mol, XLogP of 1.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 123159780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).