hexadecane;1-iodoimidazole

C19H37IN2 — CID 174619636

IUPAChexadecane;1-iodoimidazole
SMILESCCCCCCCCCCCCCCCC.In1ccnc1
InChIInChI=1S/C16H34.C3H3IN2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;4-6-2-1-5-3-6/h3-16H2,1-2H3;1-3H
InChIKeyFJGOPRCLJSLHPF-UHFFFAOYSA-N
MW420.42 g/mol
LogP7.57
Rot. Bonds13

About hexadecane;1-iodoimidazole

hexadecane;1-iodoimidazole (PubChem CID 174619636) has the molecular formula C19H37IN2 and a molecular weight of 420.42 g/mol. Its IUPAC name is hexadecane;1-iodoimidazole.

Molecular Properties

Compound Namehexadecane;1-iodoimidazole
PubChem CID174619636
Molecular FormulaC19H37IN2
Molecular Weight420.42 g/mol
Exact Mass420.20
IUPAC Namehexadecane;1-iodoimidazole
SMILESCCCCCCCCCCCCCCCC.In1ccnc1
InChIInChI=1S/C16H34.C3H3IN2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;4-6-2-1-5-3-6/h3-16H2,1-2H3;1-3H
InChIKeyFJGOPRCLJSLHPF-UHFFFAOYSA-N
XLogP7.57
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.42
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexadecane;1-iodoimidazole?
The IUPAC name of hexadecane;1-iodoimidazole (CID 174619636) is hexadecane;1-iodoimidazole.
What is the SMILES notation for hexadecane;1-iodoimidazole?
The canonical SMILES for hexadecane;1-iodoimidazole is CCCCCCCCCCCCCCCC.In1ccnc1.
What is the InChIKey of hexadecane;1-iodoimidazole?
The InChIKey is FJGOPRCLJSLHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34.C3H3IN2/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2;4-6-2-1-5-3-6/h3-16H2,1-2H3;1-3H.
What are the key properties of hexadecane;1-iodoimidazole?
hexadecane;1-iodoimidazole has a molecular weight of 420.42 g/mol, XLogP of 7.57, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecane;1-iodoimidazole is sourced from PubChem (CID 174619636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).