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

C21H22N4 — CID 59509319

IUPAC2-[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
SMILESC1=C(C2=CC=C(C3=NCCN3)C2)CC(C2=CC=C(C3=NCCN3)C2)=C1
InChIInChI=1S/C21H22N4/c1-2-15(17-4-6-19(13-17)21-24-9-10-25-21)11-14(1)16-3-5-18(12-16)20-22-7-8-23-20/h1-6H,7-13H2,(H,22,23)(H,24,25)
InChIKeyQHSPCOAIKIANSM-UHFFFAOYSA-N
MW330.44 g/mol
LogP2.76
Rot. Bonds4

About 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

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 (PubChem CID 59509319) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID59509319
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name2-[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
SMILESC1=C(C2=CC=C(C3=NCCN3)C2)CC(C2=CC=C(C3=NCCN3)C2)=C1
InChIInChI=1S/C21H22N4/c1-2-15(17-4-6-19(13-17)21-24-9-10-25-21)11-14(1)16-3-5-18(12-16)20-22-7-8-23-20/h1-6H,7-13H2,(H,22,23)(H,24,25)
InChIKeyQHSPCOAIKIANSM-UHFFFAOYSA-N
XLogP2.76
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C1=C(C2=CC=C(C3=NCCN3)C2)CC(C2=CC=C(C3=NCCN3)C2)=C1.
What is the InChIKey of 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?
The InChIKey is QHSPCOAIKIANSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-2-15(17-4-6-19(13-17)21-24-9-10-25-21)11-14(1)16-3-5-18(12-16)20-22-7-8-23-20/h1-6H,7-13H2,(H,22,23)(H,24,25).
What are the key properties of 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?
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 has a molecular weight of 330.44 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59509319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).