1-[5-(2,4-dichlorophenoxy)pentyl]imidazole

C14H16Cl2N2O — CID 2850473

IUPAC1-[5-(2,4-dichlorophenoxy)pentyl]imidazole
SMILESClc1ccc(OCCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c15-12-4-5-14(13(16)10-12)19-9-3-1-2-7-18-8-6-17-11-18/h4-6,8,10-11H,1-3,7,9H2
InChIKeyRCLGZIGOWPMCRV-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.44
Rot. Bonds7

About 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole

1-[5-(2,4-dichlorophenoxy)pentyl]imidazole (PubChem CID 2850473) has the molecular formula C14H16Cl2N2O and a molecular weight of 299.20 g/mol. Its IUPAC name is 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole.

Molecular Properties

Compound Name1-[5-(2,4-dichlorophenoxy)pentyl]imidazole
PubChem CID2850473
Molecular FormulaC14H16Cl2N2O
Molecular Weight299.20 g/mol
Exact Mass298.06
IUPAC Name1-[5-(2,4-dichlorophenoxy)pentyl]imidazole
SMILESClc1ccc(OCCCCCn2ccnc2)c(Cl)c1
InChIInChI=1S/C14H16Cl2N2O/c15-12-4-5-14(13(16)10-12)19-9-3-1-2-7-18-8-6-17-11-18/h4-6,8,10-11H,1-3,7,9H2
InChIKeyRCLGZIGOWPMCRV-UHFFFAOYSA-N
XLogP4.44
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole?
The IUPAC name of 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole (CID 2850473) is 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole.
What is the SMILES notation for 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole?
The canonical SMILES for 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole is Clc1ccc(OCCCCCn2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole?
The InChIKey is RCLGZIGOWPMCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O/c15-12-4-5-14(13(16)10-12)19-9-3-1-2-7-18-8-6-17-11-18/h4-6,8,10-11H,1-3,7,9H2.
What are the key properties of 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole?
1-[5-(2,4-dichlorophenoxy)pentyl]imidazole has a molecular weight of 299.20 g/mol, XLogP of 4.44, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-dichlorophenoxy)pentyl]imidazole is sourced from PubChem (CID 2850473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).