3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole

C12H20N2 — CID 19417596

IUPAC3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole
SMILESCCCCCCn1cnc2c1CCC2
InChIInChI=1S/C12H20N2/c1-2-3-4-5-9-14-10-13-11-7-6-8-12(11)14/h10H,2-9H2,1H3
InChIKeyQAEZMWHBHUPIBK-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.95
Rot. Bonds5

About 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole

3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole (PubChem CID 19417596) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole.

Molecular Properties

Compound Name3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole
PubChem CID19417596
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole
SMILESCCCCCCn1cnc2c1CCC2
InChIInChI=1S/C12H20N2/c1-2-3-4-5-9-14-10-13-11-7-6-8-12(11)14/h10H,2-9H2,1H3
InChIKeyQAEZMWHBHUPIBK-UHFFFAOYSA-N
XLogP2.95
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole?
The IUPAC name of 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole (CID 19417596) is 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole.
What is the SMILES notation for 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole?
The canonical SMILES for 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole is CCCCCCn1cnc2c1CCC2.
What is the InChIKey of 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole?
The InChIKey is QAEZMWHBHUPIBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-3-4-5-9-14-10-13-11-7-6-8-12(11)14/h10H,2-9H2,1H3.
What are the key properties of 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole?
3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole has a molecular weight of 192.31 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5,6-dihydro-4H-cyclopenta[d]imidazole is sourced from PubChem (CID 19417596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).