4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine

C15H17ClIN3 — CID 107641191

IUPAC4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2-c2ccc(Cl)cc2I)CCNCC1
InChIInChI=1S/C15H17ClIN3/c1-15(4-6-18-7-5-15)14-9-19-10-20(14)13-3-2-11(16)8-12(13)17/h2-3,8-10,18H,4-7H2,1H3
InChIKeyRVYAYTIFWSFXQK-UHFFFAOYSA-N
MW401.68 g/mol
LogP3.77
Rot. Bonds2

About 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine

4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine (PubChem CID 107641191) has the molecular formula C15H17ClIN3 and a molecular weight of 401.68 g/mol. Its IUPAC name is 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine
PubChem CID107641191
Molecular FormulaC15H17ClIN3
Molecular Weight401.68 g/mol
Exact Mass401.02
IUPAC Name4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine
SMILESCC1(c2cncn2-c2ccc(Cl)cc2I)CCNCC1
InChIInChI=1S/C15H17ClIN3/c1-15(4-6-18-7-5-15)14-9-19-10-20(14)13-3-2-11(16)8-12(13)17/h2-3,8-10,18H,4-7H2,1H3
InChIKeyRVYAYTIFWSFXQK-UHFFFAOYSA-N
XLogP3.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine?
The IUPAC name of 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine (CID 107641191) is 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine.
What is the SMILES notation for 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine?
The canonical SMILES for 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine is CC1(c2cncn2-c2ccc(Cl)cc2I)CCNCC1.
What is the InChIKey of 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine?
The InChIKey is RVYAYTIFWSFXQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClIN3/c1-15(4-6-18-7-5-15)14-9-19-10-20(14)13-3-2-11(16)8-12(13)17/h2-3,8-10,18H,4-7H2,1H3.
What are the key properties of 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine?
4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine has a molecular weight of 401.68 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-2-iodophenyl)imidazol-4-yl]-4-methylpiperidine is sourced from PubChem (CID 107641191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).