2-hexadecyl-1H-imidazole;urea

C20H40N4O — CID 174763574

IUPAC2-hexadecyl-1H-imidazole;urea
SMILESCCCCCCCCCCCCCCCCc1ncc[nH]1.NC(N)=O
InChIInChI=1S/C19H36N2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21-19;2-1(3)4/h17-18H,2-16H2,1H3,(H,20,21);(H4,2,3,4)
InChIKeyPXZYHXFQGGDSGZ-UHFFFAOYSA-N
MW352.57 g/mol
LogP5.46
Rot. Bonds15

About 2-hexadecyl-1H-imidazole;urea

2-hexadecyl-1H-imidazole;urea (PubChem CID 174763574) has the molecular formula C20H40N4O and a molecular weight of 352.57 g/mol. Its IUPAC name is 2-hexadecyl-1H-imidazole;urea.

Molecular Properties

Compound Name2-hexadecyl-1H-imidazole;urea
PubChem CID174763574
Molecular FormulaC20H40N4O
Molecular Weight352.57 g/mol
Exact Mass352.32
IUPAC Name2-hexadecyl-1H-imidazole;urea
SMILESCCCCCCCCCCCCCCCCc1ncc[nH]1.NC(N)=O
InChIInChI=1S/C19H36N2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21-19;2-1(3)4/h17-18H,2-16H2,1H3,(H,20,21);(H4,2,3,4)
InChIKeyPXZYHXFQGGDSGZ-UHFFFAOYSA-N
XLogP5.46
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.57
LogP ≤ 55.46
H-Bond Donors ≤ 53
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-hexadecyl-1H-imidazole;urea?
The IUPAC name of 2-hexadecyl-1H-imidazole;urea (CID 174763574) is 2-hexadecyl-1H-imidazole;urea.
What is the SMILES notation for 2-hexadecyl-1H-imidazole;urea?
The canonical SMILES for 2-hexadecyl-1H-imidazole;urea is CCCCCCCCCCCCCCCCc1ncc[nH]1.NC(N)=O.
What is the InChIKey of 2-hexadecyl-1H-imidazole;urea?
The InChIKey is PXZYHXFQGGDSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2.CH4N2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-20-17-18-21-19;2-1(3)4/h17-18H,2-16H2,1H3,(H,20,21);(H4,2,3,4).
What are the key properties of 2-hexadecyl-1H-imidazole;urea?
2-hexadecyl-1H-imidazole;urea has a molecular weight of 352.57 g/mol, XLogP of 5.46, 15 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecyl-1H-imidazole;urea is sourced from PubChem (CID 174763574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).