1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole

C10H12N2 — CID 142783454

IUPAC1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole
SMILESCC1(n2ccnc2)C=CC=CC1
InChIInChI=1S/C10H12N2/c1-10(5-3-2-4-6-10)12-8-7-11-9-12/h2-5,7-9H,6H2,1H3
InChIKeyBIWZKOFGJGYNFL-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.11
Rot. Bonds1

About 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole

1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole (PubChem CID 142783454) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole.

Molecular Properties

Compound Name1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole
PubChem CID142783454
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole
SMILESCC1(n2ccnc2)C=CC=CC1
InChIInChI=1S/C10H12N2/c1-10(5-3-2-4-6-10)12-8-7-11-9-12/h2-5,7-9H,6H2,1H3
InChIKeyBIWZKOFGJGYNFL-UHFFFAOYSA-N
XLogP2.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Subsituted 1H-imidazole, 12
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4-imidazol-1-yl-1-methyl-3,6-dihydro-2H-pyridine
CID 10678575
1-(3-Imidazol-1-ylpropyl)-2,6-dimethylpyridine-4-thione
CID 2998454
1-methyl-3-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]imidazol-3-ium
CID 49767911
1-methyl-2-[(1E,5Z)-octa-1,5-dienyl]imidazole
CID 10954357
N-geranylimidazol
CID 13309275
1-Ethyl-3-methylimidazolium 2-cyanopyrrolide
CID 134716186
(2S)-N-(2-imidazol-1-ylethyl)-N,6-dimethylhept-5-en-2-amine
CID 164642173
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CID 56976663

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole?
The IUPAC name of 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole (CID 142783454) is 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole.
What is the SMILES notation for 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole?
The canonical SMILES for 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole is CC1(n2ccnc2)C=CC=CC1.
What is the InChIKey of 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole?
The InChIKey is BIWZKOFGJGYNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-10(5-3-2-4-6-10)12-8-7-11-9-12/h2-5,7-9H,6H2,1H3.
What are the key properties of 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole?
1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole has a molecular weight of 160.22 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclohexa-2,4-dien-1-yl)imidazole is sourced from PubChem (CID 142783454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).