1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole

C11H16N2 — CID 141038333

IUPAC1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole
SMILESCC1=CC=CC(C)(N2C=NCC2)C1
InChIInChI=1S/C11H16N2/c1-10-4-3-5-11(2,8-10)13-7-6-12-9-13/h3-5,9H,6-8H2,1-2H3
InChIKeyIKWSRJFQNRFNOQ-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.00
Rot. Bonds1

About 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole

1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole (PubChem CID 141038333) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole
PubChem CID141038333
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole
SMILESCC1=CC=CC(C)(N2C=NCC2)C1
InChIInChI=1S/C11H16N2/c1-10-4-3-5-11(2,8-10)13-7-6-12-9-13/h3-5,9H,6-8H2,1-2H3
InChIKeyIKWSRJFQNRFNOQ-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxy-5-methylcyclohexa-2,4-dien-1-yl)-4-methylpiperazine
CID 173103353
1,5-dimethylcyclohexa-2,4-diene-1-sulfinic acid
CID 163846688
5-(4-bromobutoxy)-1,5-dimethylcyclohexa-1,3-diene
CID 141443733
azanium 1,5-dimethylcyclohexa-2,4-diene-1-sulfonate
CID 141478891
(5R)-5-[(1R)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene
CID 124639676
(5R)-5-[(1S)-1-chloropropyl]-1,5-dimethylcyclohexa-1,3-diene
CID 124639675
5-methyl-1-prop-1-en-2-ylcyclohexa-2,4-dien-1-ol
CID 139919540
1-(2-bromoethyl)-5-methylcyclohexa-2,4-dien-1-ol
CID 174615430
(5Z,7Z)-3,3,5-trimethyl-4,9-dihydro-2H-oxonine
CID 167462499
1,5-dimethyl-5-propylsulfonylcyclohexa-1,3-diene
CID 141111957
4-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-6-ethylpyrimidine;hydrochloride
CID 143972751
1,5-dimethylcyclohexa-2,4-dien-1-ol;2,4-dimethylphenol
CID 159180847

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole (CID 141038333) is 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole is CC1=CC=CC(C)(N2C=NCC2)C1.
What is the InChIKey of 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole?
The InChIKey is IKWSRJFQNRFNOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-10-4-3-5-11(2,8-10)13-7-6-12-9-13/h3-5,9H,6-8H2,1-2H3.
What are the key properties of 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole?
1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole has a molecular weight of 176.26 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylcyclohexa-2,4-dien-1-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 141038333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).