3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine

C18H18ClN3O — CID 57129774

IUPAC3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine
SMILESCc1cnc(C)n1Cc1ccc(COc2cccnc2)cc1Cl
InChIInChI=1S/C18H18ClN3O/c1-13-9-21-14(2)22(13)11-16-6-5-15(8-18(16)19)12-23-17-4-3-7-20-10-17/h3-10H,11-12H2,1-2H3
InChIKeyNERXRTBRFOGYNP-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.18
Rot. Bonds5

About 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine

3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine (PubChem CID 57129774) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine
PubChem CID57129774
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine
SMILESCc1cnc(C)n1Cc1ccc(COc2cccnc2)cc1Cl
InChIInChI=1S/C18H18ClN3O/c1-13-9-21-14(2)22(13)11-16-6-5-15(8-18(16)19)12-23-17-4-3-7-20-10-17/h3-10H,11-12H2,1-2H3
InChIKeyNERXRTBRFOGYNP-UHFFFAOYSA-N
XLogP4.18
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2,5-dimethylimidazole
CID 57138416
2-chloro-5-(pyridin-3-yloxymethyl)aniline
CID 117221990
1-bromo-3-[3-chloro-4-(pyridin-3-yloxymethyl)phenyl]propan-2-ol
CID 171773463
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
1-[(2-chloro-4-thiophen-2-ylphenyl)methyl]-2,5-dimethylimidazole
CID 57234368
2-methyl-4-(pyridin-3-yloxymethyl)aniline
CID 117220552
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
3-[(3-fluorophenyl)methoxy]pyridine
CID 18758418
3-(furan-3-ylmethoxy)pyridine
CID 112558860
3-[(2,4,6-trimethylphenyl)methoxy]pyridine
CID 112558779
2-methoxy-4-(pyridin-3-yloxymethyl)benzonitrile
CID 106794520
[3-[(2-chloro-4-methylphenyl)methyl]-2-methylimidazol-4-yl]methanamine
CID 106870107

Frequently Asked Questions

What is the IUPAC name of 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine?
The IUPAC name of 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine (CID 57129774) is 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine.
What is the SMILES notation for 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine?
The canonical SMILES for 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine is Cc1cnc(C)n1Cc1ccc(COc2cccnc2)cc1Cl.
What is the InChIKey of 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine?
The InChIKey is NERXRTBRFOGYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-13-9-21-14(2)22(13)11-16-6-5-15(8-18(16)19)12-23-17-4-3-7-20-10-17/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine?
3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine has a molecular weight of 327.82 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-chloro-4-[(2,5-dimethylimidazol-1-yl)methyl]phenyl]methoxy]pyridine is sourced from PubChem (CID 57129774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).