6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one

C20H18N4O — CID 143057236

IUPAC6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one
SMILESCc1ccc(C(c2ccc3[nH]c(=O)c(C)nc3c2)n2ccnc2)cc1
InChIInChI=1S/C20H18N4O/c1-13-3-5-15(6-4-13)19(24-10-9-21-12-24)16-7-8-17-18(11-16)22-14(2)20(25)23-17/h3-12,19H,1-2H3,(H,23,25)
InChIKeyAFRBIHUAMAQKBQ-UHFFFAOYSA-N
MW330.39 g/mol
LogP3.37
Rot. Bonds3

About 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one

6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one (PubChem CID 143057236) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one.

Molecular Properties

Compound Name6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one
PubChem CID143057236
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one
SMILESCc1ccc(C(c2ccc3[nH]c(=O)c(C)nc3c2)n2ccnc2)cc1
InChIInChI=1S/C20H18N4O/c1-13-3-5-15(6-4-13)19(24-10-9-21-12-24)16-7-8-17-18(11-16)22-14(2)20(25)23-17/h3-12,19H,1-2H3,(H,23,25)
InChIKeyAFRBIHUAMAQKBQ-UHFFFAOYSA-N
XLogP3.37
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one
CID 59596194
6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
CID 19875835
ethane;6-[(4-ethenylphenyl)-imidazol-1-ylmethyl]-3-methyl-1H-quinolin-2-one;molecular hydrogen
CID 143057224
6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-1H-quinolin-2-one
CID 19967130
6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 58828708
7-[(3-chlorophenyl)-imidazol-1-ylmethyl]-3-(2-methylpropyl)-1H-quinoxalin-2-one
CID 19875903
6-bromo-3-methyl-1H-quinoxalin-2-one
CID 11630070
6-[(3-chlorophenyl)-imidazol-1-ylmethyl]-1H-quinazolin-2-one
CID 174347173
6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole
CID 14518485
1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one
CID 141114210
6-[(4-fluorophenyl)-imidazol-1-ylmethyl]-2-pyridin-3-yl-1H-benzimidazole
CID 14518535
1-benzhydrylimidazole;hydrobromide
CID 174865219

Frequently Asked Questions

What is the IUPAC name of 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one?
The IUPAC name of 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one (CID 143057236) is 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one.
What is the SMILES notation for 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one?
The canonical SMILES for 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one is Cc1ccc(C(c2ccc3[nH]c(=O)c(C)nc3c2)n2ccnc2)cc1.
What is the InChIKey of 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one?
The InChIKey is AFRBIHUAMAQKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-13-3-5-15(6-4-13)19(24-10-9-21-12-24)16-7-8-17-18(11-16)22-14(2)20(25)23-17/h3-12,19H,1-2H3,(H,23,25).
What are the key properties of 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one?
6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one has a molecular weight of 330.39 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one is sourced from PubChem (CID 143057236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).