2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole

C10H18N4 — CID 12535971

IUPAC2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole
SMILESC(CCC1=NCCN1)CC1=NCCN1
InChIInChI=1S/C10H18N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-8H2,(H,11,12)(H,13,14)
InChIKeyAYKRGIOUELXFSY-UHFFFAOYSA-N
MW194.28 g/mol
LogP0.55
Rot. Bonds5

About 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole

2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole (PubChem CID 12535971) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole
PubChem CID12535971
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole
SMILESC(CCC1=NCCN1)CC1=NCCN1
InChIInChI=1S/C10H18N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-8H2,(H,11,12)(H,13,14)
InChIKeyAYKRGIOUELXFSY-UHFFFAOYSA-N
XLogP0.55
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole (CID 12535971) is 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole is C(CCC1=NCCN1)CC1=NCCN1.
What is the InChIKey of 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole?
The InChIKey is AYKRGIOUELXFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1(3-9-11-5-6-12-9)2-4-10-13-7-8-14-10/h1-8H2,(H,11,12)(H,13,14).
What are the key properties of 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole?
2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole has a molecular weight of 194.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4,5-dihydro-1H-imidazol-2-yl)butyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 12535971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).