1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole

C16H15ClN2O — CID 2994656

IUPAC1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole
SMILESClc1c(OCCCn2ccnc2)ccc2ccccc12
InChIInChI=1S/C16H15ClN2O/c17-16-14-5-2-1-4-13(14)6-7-15(16)20-11-3-9-19-10-8-18-12-19/h1-2,4-8,10,12H,3,9,11H2
InChIKeyGTIQSTLOVFXLMS-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.16
Rot. Bonds5

About 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole

1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole (PubChem CID 2994656) has the molecular formula C16H15ClN2O and a molecular weight of 286.76 g/mol. Its IUPAC name is 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole.

Molecular Properties

Compound Name1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole
PubChem CID2994656
Molecular FormulaC16H15ClN2O
Molecular Weight286.76 g/mol
Exact Mass286.09
IUPAC Name1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole
SMILESClc1c(OCCCn2ccnc2)ccc2ccccc12
InChIInChI=1S/C16H15ClN2O/c17-16-14-5-2-1-4-13(14)6-7-15(16)20-11-3-9-19-10-8-18-12-19/h1-2,4-8,10,12H,3,9,11H2
InChIKeyGTIQSTLOVFXLMS-UHFFFAOYSA-N
XLogP4.16
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.16
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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Related Compounds

(2R)-1-(1-chloronaphthalen-2-yl)oxy-3-imidazol-1-ylpropan-2-ol
CID 714826
8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
CID 75499778
[3-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methanol
CID 112612886
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
8-(2-imidazol-1-ylethoxy)quinoline
CID 24849052
1-[3-[2,6-di(propan-2-yl)phenoxy]propyl]imidazole
CID 2852343
N-[[5-chloro-2-(3-imidazol-1-ylpropoxy)phenyl]methylideneamino]aniline
CID 169383026
1-[4-(4-chlorophenoxy)butyl]imidazole
CID 2843495
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
1-[4-(2-phenylphenoxy)butyl]imidazole
CID 4998739
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[3-(4-iodo-2-methylphenoxy)propyl]imidazole
CID 2995325

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole?
The IUPAC name of 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole (CID 2994656) is 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole.
What is the SMILES notation for 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole?
The canonical SMILES for 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole is Clc1c(OCCCn2ccnc2)ccc2ccccc12.
What is the InChIKey of 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole?
The InChIKey is GTIQSTLOVFXLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O/c17-16-14-5-2-1-4-13(14)6-7-15(16)20-11-3-9-19-10-8-18-12-19/h1-2,4-8,10,12H,3,9,11H2.
What are the key properties of 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole?
1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole has a molecular weight of 286.76 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-chloronaphthalen-2-yl)oxypropyl]imidazole is sourced from PubChem (CID 2994656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).