4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid

C19H34N2O4 — CID 174920951

IUPAC4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid
SMILESC1=NCCN1.CCCCCCCCCCC=CC(CC(=O)O)C(=O)O
InChIInChI=1S/C16H28O4.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;1-2-5-3-4-1/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);3H,1-2H2,(H,4,5)
InChIKeyDTHDMRCUENHYSO-UHFFFAOYSA-N
MW354.49 g/mol
LogP3.87
Rot. Bonds13

About 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid

4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid (PubChem CID 174920951) has the molecular formula C19H34N2O4 and a molecular weight of 354.49 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid
PubChem CID174920951
Molecular FormulaC19H34N2O4
Molecular Weight354.49 g/mol
Exact Mass354.25
IUPAC Name4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid
SMILESC1=NCCN1.CCCCCCCCCCC=CC(CC(=O)O)C(=O)O
InChIInChI=1S/C16H28O4.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;1-2-5-3-4-1/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);3H,1-2H2,(H,4,5)
InChIKeyDTHDMRCUENHYSO-UHFFFAOYSA-N
XLogP3.87
TPSA98.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.49
LogP ≤ 53.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tetradec-1-enylbutanedioic acid
CID 3018655
2-tetracos-1-enylbutanedioic acid
CID 123737122
2-[(E)-dec-1-enyl]butanedioic acid
CID 6365755
azane;2-[(E)-oct-1-enyl]butanedioic acid
CID 173422131
CID 162317914
CID 162317914
cerium;2-dodec-1-enylbutanedioic acid
CID 174928288
azane;2-[(E)-dodec-1-enyl]butanedioic acid
CID 173459339
sodium;2-[(E)-dodec-1-enyl]butanedioic acid;hydride
CID 173295475
ethanol;2-oct-1-enylbutanedioic acid
CID 175445551
4,5-dihydro-1H-imidazole;(Z)-docos-13-enoic acid
CID 175010833
butane-1,1-diol;2-dodec-1-enylbutanedioic acid
CID 174804232
4,5-dihydro-1H-imidazole;(9Z,12Z)-octadeca-9,12-dienoic acid;phosphoric acid
CID 175597588

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid?
The IUPAC name of 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid (CID 174920951) is 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid?
The canonical SMILES for 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid is C1=NCCN1.CCCCCCCCCCC=CC(CC(=O)O)C(=O)O.
What is the InChIKey of 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid?
The InChIKey is DTHDMRCUENHYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4.C3H6N2/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18;1-2-5-3-4-1/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20);3H,1-2H2,(H,4,5).
What are the key properties of 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid?
4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid has a molecular weight of 354.49 g/mol, XLogP of 3.87, 13 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;2-dodec-1-enylbutanedioic acid is sourced from PubChem (CID 174920951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).