2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole

C14H20N4 — CID 123312914

IUPAC2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole
SMILESC1=C(C2=NCCN2)CCCC/C(C2=NCCN2)=C\1
InChIInChI=1S/C14H20N4/c1-2-4-12(14-17-9-10-18-14)6-5-11(3-1)13-15-7-8-16-13/h5-6H,1-4,7-10H2,(H,15,16)(H,17,18)/b11-5+,12-6?
InChIKeyAAKQDPQHOLTWLZ-NKDWCUNHSA-N
MW244.34 g/mol
LogP1.42
Rot. Bonds2

About 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole

2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole (PubChem CID 123312914) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole
PubChem CID123312914
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole
SMILESC1=C(C2=NCCN2)CCCC/C(C2=NCCN2)=C\1
InChIInChI=1S/C14H20N4/c1-2-4-12(14-17-9-10-18-14)6-5-11(3-1)13-15-7-8-16-13/h5-6H,1-4,7-10H2,(H,15,16)(H,17,18)/b11-5+,12-6?
InChIKeyAAKQDPQHOLTWLZ-NKDWCUNHSA-N
XLogP1.42
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-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

2-Cyclohexenylmethylimidazoline
CID 24839055
2-[(3E,5E)-6-fluoro-5-[2-[(7Z)-2-methyl-9H-benzo[8]annulen-1-yl]ethyl]hepta-1,3,5-trien-4-yl]-4,5-dihydro-1H-imidazole
CID 143153091
2-cyclohexa-1,3-dien-1-yl-4,5-dihydro-1H-imidazole
CID 20467551
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]cyclopenta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole
CID 59509319
2-[(Z)-octadec-9-en-9-yl]-4,5-dihydro-1H-imidazole
CID 70481753
ethane-1,2-diamine;2-tetratriaconta-14,16,18-trien-17-yl-4,5-dihydro-1H-imidazole
CID 88831703
2-(4-methylcyclohexa-1,3-dien-1-yl)-4,5-dihydro-1H-imidazole
CID 123159780
2-(cyclohexen-1-yl)-4,5-dihydro-1H-imidazole
CID 45120749
2-tetratriaconta-14,16,18-trien-17-yl-4,5-dihydro-1H-imidazole
CID 53746486

Frequently Asked Questions

What is the IUPAC name of 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole (CID 123312914) is 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole is C1=C(C2=NCCN2)CCCC/C(C2=NCCN2)=C\1.
What is the InChIKey of 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is AAKQDPQHOLTWLZ-NKDWCUNHSA-N. The full InChI is InChI=1S/C14H20N4/c1-2-4-12(14-17-9-10-18-14)6-5-11(3-1)13-15-7-8-16-13/h5-6H,1-4,7-10H2,(H,15,16)(H,17,18)/b11-5+,12-6?.
What are the key properties of 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole?
2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 244.34 g/mol, XLogP of 1.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1E)-4-(4,5-dihydro-1H-imidazol-2-yl)cycloocta-1,3-dien-1-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 123312914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).