1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole

C15H19ClN2O — CID 762595

IUPAC1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole
SMILESCC(C)(C)c1cc(Cl)ccc1OCCn1ccnc1
InChIInChI=1S/C15H19ClN2O/c1-15(2,3)13-10-12(16)4-5-14(13)19-9-8-18-7-6-17-11-18/h4-7,10-11H,8-9H2,1-3H3
InChIKeyMMRCPWNFCVKIEK-UHFFFAOYSA-N
MW278.78 g/mol
LogP3.91
Rot. Bonds4

About 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole

1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole (PubChem CID 762595) has the molecular formula C15H19ClN2O and a molecular weight of 278.78 g/mol. Its IUPAC name is 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole
PubChem CID762595
Molecular FormulaC15H19ClN2O
Molecular Weight278.78 g/mol
Exact Mass278.12
IUPAC Name1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole
SMILESCC(C)(C)c1cc(Cl)ccc1OCCn1ccnc1
InChIInChI=1S/C15H19ClN2O/c1-15(2,3)13-10-12(16)4-5-14(13)19-9-8-18-7-6-17-11-18/h4-7,10-11H,8-9H2,1-3H3
InChIKeyMMRCPWNFCVKIEK-UHFFFAOYSA-N
XLogP3.91
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.78
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Croconazole
CID 2880
2-(4-chloro-2-methylphenoxy)-N-(3-imidazol-1-ylpropyl)propanamide
CID 3310979
1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-[2-(2-Methylphenoxy)ethyl]imidazole
CID 868346
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
1-[2-(2,3-dimethylphenoxy)ethyl]-1H-imidazole
CID 868561
1-[3-(2,6-dimethylphenoxy)propyl]-1H-imidazole
CID 2843475
1-[2-(2-allyl-4-chlorophenoxy)ethyl]-1H-imidazole oxalate
CID 2923479
4-(4-chloro-2-methylphenoxy)-N-[3-(1H-imidazol-1-yl)propyl]butanamide
CID 3148047
1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]-1H-imidazole
CID 2853604
1-[5-(4-chloro-3,5-dimethylphenoxy)pentyl]-1H-imidazole
CID 4110518
1-[6-(4-Chloro-3,5-dimethylphenoxy)hexyl]imidazole
CID 2853905

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole (CID 762595) is 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole is CC(C)(C)c1cc(Cl)ccc1OCCn1ccnc1.
What is the InChIKey of 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole?
The InChIKey is MMRCPWNFCVKIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O/c1-15(2,3)13-10-12(16)4-5-14(13)19-9-8-18-7-6-17-11-18/h4-7,10-11H,8-9H2,1-3H3.
What are the key properties of 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole?
1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole has a molecular weight of 278.78 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-tert-butyl-4-chlorophenoxy)ethyl]imidazole is sourced from PubChem (CID 762595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).