1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole

C20H18N4 — CID 91152717

IUPAC1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole
SMILESC1=CC(C2=CCC(=Cn3ccnc3)C=C2)=CCC1=Cn1ccnc1
InChIInChI=1S/C20H18N4/c1-5-19(6-2-17(1)13-23-11-9-21-15-23)20-7-3-18(4-8-20)14-24-12-10-22-16-24/h1,3,5-16H,2,4H2
InChIKeyLEFQMRWZYRXWLO-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.23
Rot. Bonds3

About 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole

1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole (PubChem CID 91152717) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole
PubChem CID91152717
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole
SMILESC1=CC(C2=CCC(=Cn3ccnc3)C=C2)=CCC1=Cn1ccnc1
InChIInChI=1S/C20H18N4/c1-5-19(6-2-17(1)13-23-11-9-21-15-23)20-7-3-18(4-8-20)14-24-12-10-22-16-24/h1,3,5-16H,2,4H2
InChIKeyLEFQMRWZYRXWLO-UHFFFAOYSA-N
XLogP4.23
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]imidazol-1-ium bromide
CID 44429842
1,2-Bis(imidazol-1-yl-methylene)-benzene
CID 168477396
1-methyl-3-[(1E,5E,9E)-2,6,10,14-tetramethylpentadeca-1,5,9,13-tetraenyl]imidazol-1-ium
CID 44429843
1-(Cyclohexa-1,5-dien-1-ylmethyl)imidazole
CID 21950680
1-(3,7,11-Trimethyldodeca-2,6,10-trienyl)-imidazole
CID 54386362
1-[(E)-1-phenylprop-1-en-2-yl]imidazole;yttrium
CID 57856013
1-Methyl-2-(2-methylbenzene-6-id-1-yl)imidazole;1-methyl-2-(2-methylbenzene-6-id-1-yl)imidazol-1-ium-3-ide;platinum
CID 58401371
2-(3-methylimidazol-3-ium-1-yl)-N-[2-(3-methylimidazol-3-ium-1-yl)ethyl]-N-[2-(3-methyl-3H-pyrrol-1-ium-1-yl)ethyl]ethanamine
CID 59798513
1-Hydroxy-6,6-di(imidazol-1-yl)pyridine-3-carbonitrile
CID 68687577
1-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]imidazole
CID 70567392
N-hydroxy-4,4-di(imidazol-1-yl)cyclohexa-1,5-diene-1-carbonitrilium
CID 87541078
1-(5-Cyclohexa-1,5-dien-1-yl-3-methylpent-4-en-2-yl)imidazole
CID 90921608

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole?
The IUPAC name of 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole (CID 91152717) is 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole.
What is the SMILES notation for 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole?
The canonical SMILES for 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole is C1=CC(C2=CCC(=Cn3ccnc3)C=C2)=CCC1=Cn1ccnc1.
What is the InChIKey of 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole?
The InChIKey is LEFQMRWZYRXWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-5-19(6-2-17(1)13-23-11-9-21-15-23)20-7-3-18(4-8-20)14-24-12-10-22-16-24/h1,3,5-16H,2,4H2.
What are the key properties of 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole?
1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole has a molecular weight of 314.39 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(imidazol-1-ylmethylidene)cyclohexa-1,5-dien-1-yl]cyclohexa-2,4-dien-1-ylidene]methyl]imidazole is sourced from PubChem (CID 91152717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).