2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole

C16H18N4O — CID 66857127

IUPAC2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
SMILESCOc1cc(-c2nc(C)c(C)[nH]2)ccc1-n1cnc(C)c1
InChIInChI=1S/C16H18N4O/c1-10-8-20(9-17-10)14-6-5-13(7-15(14)21-4)16-18-11(2)12(3)19-16/h5-9H,1-4H3,(H,18,19)
InChIKeyMQHVJZKQKXLMLL-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.20
Rot. Bonds3

About 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole

2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole (PubChem CID 66857127) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole.

Molecular Properties

Compound Name2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
PubChem CID66857127
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole
SMILESCOc1cc(-c2nc(C)c(C)[nH]2)ccc1-n1cnc(C)c1
InChIInChI=1S/C16H18N4O/c1-10-8-20(9-17-10)14-6-5-13(7-15(14)21-4)16-18-11(2)12(3)19-16/h5-9H,1-4H3,(H,18,19)
InChIKeyMQHVJZKQKXLMLL-UHFFFAOYSA-N
XLogP3.20
TPSA55.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-methyl-1H-1,2,4-triazole
CID 67797926
ethane;3-methoxy-4-(4-methylimidazol-1-yl)aniline
CID 144841192
azane;1-[4-(4H-imidazol-2-yl)-2-methoxyphenyl]-4-methylimidazole
CID 158028310
trifluoro-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]boranuide
CID 140582920
[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methanamine
CID 68592145
1-(4-fluorophenyl)-3-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-propan-2-yl-1,2,4-triazole
CID 67606398
3-methoxy-4-(4-methylimidazol-1-yl)benzenesulfonyl chloride
CID 59591064
3-[(E)-2-(4-fluorophenyl)ethenyl]-5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1-methyl-1,2,4-triazole
CID 67607404
1-(4-but-1-en-2-yl-2-methoxyphenyl)-4-methylimidazole
CID 91094143
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-2-methyl-N-(3,4,5-trifluorophenyl)-1,2,4-triazol-3-amine
CID 66855626
5-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-N-(5-methoxy-2-methylphenyl)-2-methyl-1,2,4-triazol-3-amine
CID 67606450

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole?
The IUPAC name of 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole (CID 66857127) is 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole.
What is the SMILES notation for 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole?
The canonical SMILES for 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole is COc1cc(-c2nc(C)c(C)[nH]2)ccc1-n1cnc(C)c1.
What is the InChIKey of 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole?
The InChIKey is MQHVJZKQKXLMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-10-8-20(9-17-10)14-6-5-13(7-15(14)21-4)16-18-11(2)12(3)19-16/h5-9H,1-4H3,(H,18,19).
What are the key properties of 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole?
2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole has a molecular weight of 282.35 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4,5-dimethyl-1H-imidazole is sourced from PubChem (CID 66857127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).