3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine

C16H14ClN3O — CID 56861620

IUPAC3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine
SMILESCOc1cc(Cl)c(C)cc1-n1ccnc1-c1cccnc1
InChIInChI=1S/C16H14ClN3O/c1-11-8-14(15(21-2)9-13(11)17)20-7-6-19-16(20)12-4-3-5-18-10-12/h3-10H,1-2H3
InChIKeyNHEXBNUUNBKEOD-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.90
Rot. Bonds3

About 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine

3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine (PubChem CID 56861620) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine.

Molecular Properties

Compound Name3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine
PubChem CID56861620
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine
SMILESCOc1cc(Cl)c(C)cc1-n1ccnc1-c1cccnc1
InChIInChI=1S/C16H14ClN3O/c1-11-8-14(15(21-2)9-13(11)17)20-7-6-19-16(20)12-4-3-5-18-10-12/h3-10H,1-2H3
InChIKeyNHEXBNUUNBKEOD-UHFFFAOYSA-N
XLogP3.90
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-phenylpropylamino)pyrazin-2-one
CID 16824626
1-(4-chloro-2-methoxy-5-methylphenyl)-3-[[(2S)-2-phenylpropyl]amino]pyrazin-2-one
CID 41434722
3-[1-[4-(2,2-dimethylpropyl)-2,6-dimethylphenyl]imidazol-2-yl]pyridine
CID 140811429
3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
CID 68793255
2-chloro-4-methoxy-5-pyridin-3-ylpyridine
CID 175166261
3-(2,5-dimethoxy-4-pyridin-3-ylphenyl)pyridine
CID 156631933
4-(4-chloro-2-methoxy-5-methylphenyl)-1,2,4-triazole
CID 50983973
2-(2,6-dimethoxyphenyl)-1-(5-fluoro-2-methylphenyl)imidazole
CID 56745803
3-[1-[3-(1,2,4-triazol-4-yl)phenyl]imidazol-2-yl]pyridine
CID 50958436
3-(3,4,5-trimethoxyphenyl)pyridine
CID 141070241
5-(2-pyridin-3-ylimidazol-1-yl)-2,3-dihydroinden-1-one
CID 50968991
3-(5-ethoxy-2-methoxy-4-methylphenyl)pyridine
CID 159955267

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine?
The IUPAC name of 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine (CID 56861620) is 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine.
What is the SMILES notation for 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine?
The canonical SMILES for 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine is COc1cc(Cl)c(C)cc1-n1ccnc1-c1cccnc1.
What is the InChIKey of 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine?
The InChIKey is NHEXBNUUNBKEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-8-14(15(21-2)9-13(11)17)20-7-6-19-16(20)12-4-3-5-18-10-12/h3-10H,1-2H3.
What are the key properties of 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine?
3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine has a molecular weight of 299.76 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chloro-2-methoxy-5-methylphenyl)imidazol-2-yl]pyridine is sourced from PubChem (CID 56861620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).