1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole

C14H17ClN2O — CID 2852738

IUPAC1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole
SMILESCc1cccc(Cl)c1OCCCCn1ccnc1
InChIInChI=1S/C14H17ClN2O/c1-12-5-4-6-13(15)14(12)18-10-3-2-8-17-9-7-16-11-17/h4-7,9,11H,2-3,8,10H2,1H3
InChIKeyHDLBRGJLRFUULU-UHFFFAOYSA-N
MW264.76 g/mol
LogP3.70
Rot. Bonds6

About 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole

1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole (PubChem CID 2852738) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole
PubChem CID2852738
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole
SMILESCc1cccc(Cl)c1OCCCCn1ccnc1
InChIInChI=1S/C14H17ClN2O/c1-12-5-4-6-13(15)14(12)18-10-3-2-8-17-9-7-16-11-17/h4-7,9,11H,2-3,8,10H2,1H3
InChIKeyHDLBRGJLRFUULU-UHFFFAOYSA-N
XLogP3.70
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 53.70
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-[4-(2-chloro-6-methylphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole (CID 2852738) is 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole is Cc1cccc(Cl)c1OCCCCn1ccnc1.
What is the InChIKey of 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole?
The InChIKey is HDLBRGJLRFUULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c1-12-5-4-6-13(15)14(12)18-10-3-2-8-17-9-7-16-11-17/h4-7,9,11H,2-3,8,10H2,1H3.
What are the key properties of 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole?
1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole has a molecular weight of 264.76 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-6-methylphenoxy)butyl]imidazole is sourced from PubChem (CID 2852738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).