5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole

C14H16ClN3O2 — CID 114716743

IUPAC5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
SMILESCOc1cc(-n2cncc2C2CNC2)c(OC)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-19-13-4-11(14(20-2)3-10(13)15)18-8-17-7-12(18)9-5-16-6-9/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyRFBDTWQGBCEMQR-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.23
Rot. Bonds4

About 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole

5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole (PubChem CID 114716743) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
PubChem CID114716743
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole
SMILESCOc1cc(-n2cncc2C2CNC2)c(OC)cc1Cl
InChIInChI=1S/C14H16ClN3O2/c1-19-13-4-11(14(20-2)3-10(13)15)18-8-17-7-12(18)9-5-16-6-9/h3-4,7-9,16H,5-6H2,1-2H3
InChIKeyRFBDTWQGBCEMQR-UHFFFAOYSA-N
XLogP2.23
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chloro-2,5-dimethoxyphenyl)imidazole-4-carbaldehyde
CID 66148246
5-(azetidin-3-yl)-1-(2-chloro-4-fluorophenyl)imidazole
CID 114716072
2-[3-(4-chloro-2,5-dimethoxyphenyl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114707996
5-(azetidin-3-yl)-1-(2,5-difluoro-4-methylphenyl)imidazole
CID 103587997
5-(azetidin-3-yl)-1-(3-chlorophenyl)imidazole
CID 114716199
3-chloro-4-(4-chloro-2,5-dimethoxyphenyl)-1,2,4-triazole
CID 63384718
3-[5-(azetidin-3-yl)imidazol-1-yl]-5-methylpyridine
CID 107587235
3-[5-(azetidin-3-yl)imidazol-1-yl]-2,6-dimethylpyridine
CID 114721206
1-(4-methoxy-2-methylphenyl)-5-pyrrolidin-3-ylimidazole
CID 114719980
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
5-(azetidin-3-yl)-1-[2-fluoro-5-(trifluoromethyl)phenyl]imidazole
CID 114720207
1-(4-chloro-2,5-dimethoxyphenyl)azetidin-3-amine
CID 117002859

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole?
The IUPAC name of 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole (CID 114716743) is 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole.
What is the SMILES notation for 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole?
The canonical SMILES for 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole is COc1cc(-n2cncc2C2CNC2)c(OC)cc1Cl.
What is the InChIKey of 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole?
The InChIKey is RFBDTWQGBCEMQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-19-13-4-11(14(20-2)3-10(13)15)18-8-17-7-12(18)9-5-16-6-9/h3-4,7-9,16H,5-6H2,1-2H3.
What are the key properties of 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole?
5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole has a molecular weight of 293.75 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-1-(4-chloro-2,5-dimethoxyphenyl)imidazole is sourced from PubChem (CID 114716743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).