3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine

C15H20IN3 — CID 139311770

IUPAC3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine
SMILESCC(C)(I)CCCCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C15H20IN3/c1-15(2,16)7-3-4-9-19-11-14(18-12-19)13-6-5-8-17-10-13/h5-6,8,10-12H,3-4,7,9H2,1-2H3
InChIKeyNBBOMAUQXDLZGD-UHFFFAOYSA-N
MW369.25 g/mol
LogP4.33
Rot. Bonds6

About 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine

3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine (PubChem CID 139311770) has the molecular formula C15H20IN3 and a molecular weight of 369.25 g/mol. Its IUPAC name is 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine.

Molecular Properties

Compound Name3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine
PubChem CID139311770
Molecular FormulaC15H20IN3
Molecular Weight369.25 g/mol
Exact Mass369.07
IUPAC Name3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine
SMILESCC(C)(I)CCCCn1cnc(-c2cccnc2)c1
InChIInChI=1S/C15H20IN3/c1-15(2,16)7-3-4-9-19-11-14(18-12-19)13-6-5-8-17-10-13/h5-6,8,10-12H,3-4,7,9H2,1-2H3
InChIKeyNBBOMAUQXDLZGD-UHFFFAOYSA-N
XLogP4.33
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine?
The IUPAC name of 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine (CID 139311770) is 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine.
What is the SMILES notation for 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine?
The canonical SMILES for 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine is CC(C)(I)CCCCn1cnc(-c2cccnc2)c1.
What is the InChIKey of 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine?
The InChIKey is NBBOMAUQXDLZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20IN3/c1-15(2,16)7-3-4-9-19-11-14(18-12-19)13-6-5-8-17-10-13/h5-6,8,10-12H,3-4,7,9H2,1-2H3.
What are the key properties of 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine?
3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine has a molecular weight of 369.25 g/mol, XLogP of 4.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-iodo-5-methylhexyl)imidazol-4-yl]pyridine is sourced from PubChem (CID 139311770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).