5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine

C16H16N4O — CID 22240312

IUPAC5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine
SMILESCOc1ccc(-c2cnnc(Cn3ccnc3C)c2)cc1
InChIInChI=1S/C16H16N4O/c1-12-17-7-8-20(12)11-15-9-14(10-18-19-15)13-3-5-16(21-2)6-4-13/h3-10H,11H2,1-2H3
InChIKeyANOSRBKHMMTSME-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.71
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine

5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine (PubChem CID 22240312) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine
PubChem CID22240312
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine
SMILESCOc1ccc(-c2cnnc(Cn3ccnc3C)c2)cc1
InChIInChI=1S/C16H16N4O/c1-12-17-7-8-20(12)11-15-9-14(10-18-19-15)13-3-5-16(21-2)6-4-13/h3-10H,11H2,1-2H3
InChIKeyANOSRBKHMMTSME-UHFFFAOYSA-N
XLogP2.71
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-3-[(2-methylimidazol-1-yl)methyl]pyridazine;(5-methoxypyridazin-3-yl)methanol
CID 159028155
5-[4-fluoro-3-(trifluoromethyl)phenyl]-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 10359623
5-(2-chlorophenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine;hydrochloride
CID 22240110
5-chloro-3-[(2-methylimidazol-1-yl)methyl]pyridazine
CID 11789025
1-[2-(4-methoxyphenoxy)ethyl]-2-methylimidazole
CID 887351
4-[[2-(4-methoxyphenyl)imidazol-1-yl]methyl]pyrimidine
CID 56716138
2-(2,5-dimethoxyphenyl)-5-methyl-4-[(2-methylimidazol-1-yl)methyl]-1,3-oxazole;hydrochloride
CID 154890867
4-(3,4-dimethoxyphenyl)-6,7-dimethoxy-2-[(2-methylimidazol-1-yl)methyl]quinazoline
CID 10669803
3-(4-methoxyphenyl)-N-[3-[(2-methylimidazol-1-yl)methyl]phenyl]-1,2-oxazole-5-carboxamide
CID 46974809
1-[4-(3-methoxyphenoxy)butyl]-2-methylimidazole
CID 2935203
1-[(4-methoxy-3-methylphenyl)methyl]-2-methylimidazole
CID 82078786
N-[(3,5-dimethoxyphenyl)methyl]-2-methyl-3-(2-methylimidazol-1-yl)propan-1-amine
CID 119122572

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The IUPAC name of 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine (CID 22240312) is 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The canonical SMILES for 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine is COc1ccc(-c2cnnc(Cn3ccnc3C)c2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
The InChIKey is ANOSRBKHMMTSME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-12-17-7-8-20(12)11-15-9-14(10-18-19-15)13-3-5-16(21-2)6-4-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine?
5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine has a molecular weight of 280.33 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-[(2-methylimidazol-1-yl)methyl]pyridazine is sourced from PubChem (CID 22240312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).