2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole

C15H28N2 — CID 19825981

IUPAC2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole
SMILESC=C(CCCCCCCCCC)C1=NCCN1
InChIInChI=1S/C15H28N2/c1-3-4-5-6-7-8-9-10-11-14(2)15-16-12-13-17-15/h2-13H2,1H3,(H,16,17)
InChIKeyRVVWJKBBEBWKBL-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.08
Rot. Bonds10

About 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole

2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole (PubChem CID 19825981) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole
PubChem CID19825981
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole
SMILESC=C(CCCCCCCCCC)C1=NCCN1
InChIInChI=1S/C15H28N2/c1-3-4-5-6-7-8-9-10-11-14(2)15-16-12-13-17-15/h2-13H2,1H3,(H,16,17)
InChIKeyRVVWJKBBEBWKBL-UHFFFAOYSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.08
H-Bond Donors ≤ 51
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 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole (CID 19825981) is 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole is C=C(CCCCCCCCCC)C1=NCCN1.
What is the InChIKey of 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole?
The InChIKey is RVVWJKBBEBWKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-4-5-6-7-8-9-10-11-14(2)15-16-12-13-17-15/h2-13H2,1H3,(H,16,17).
What are the key properties of 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole?
2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole has a molecular weight of 236.40 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dodec-1-en-2-yl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 19825981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).