6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline

C20H18N4 — CID 19875835

IUPAC6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
SMILESCc1nc2ccc(C(c3ccccc3)n3ccnc3)cc2nc1C
InChIInChI=1S/C20H18N4/c1-14-15(2)23-19-12-17(8-9-18(19)22-14)20(24-11-10-21-13-24)16-6-4-3-5-7-16/h3-13,20H,1-2H3
InChIKeyHTETVDJDMWVCLN-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.08
Rot. Bonds3

About 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline

6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline (PubChem CID 19875835) has the molecular formula C20H18N4 and a molecular weight of 314.39 g/mol. Its IUPAC name is 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline.

Molecular Properties

Compound Name6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
PubChem CID19875835
Molecular FormulaC20H18N4
Molecular Weight314.39 g/mol
Exact Mass314.15
IUPAC Name6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline
SMILESCc1nc2ccc(C(c3ccccc3)n3ccnc3)cc2nc1C
InChIInChI=1S/C20H18N4/c1-14-15(2)23-19-12-17(8-9-18(19)22-14)20(24-11-10-21-13-24)16-6-4-3-5-7-16/h3-13,20H,1-2H3
InChIKeyHTETVDJDMWVCLN-UHFFFAOYSA-N
XLogP4.08
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzhydrylimidazole;hydrobromide
CID 174865219
6-[imidazol-1-yl-(4-methylphenyl)methyl]-3-methyl-1H-quinoxalin-2-one
CID 143057236
6-[imidazol-1-yl(phenyl)methyl]quinoline sulfate
CID 19967120
5-[imidazol-1-yl(phenyl)methyl]-2,3-dihydro-1H-benzimidazole
CID 174253114
1-[4-[imidazol-1-yl(phenyl)methyl]phenyl]imidazole
CID 14594096
1-ethyl-6-[imidazol-1-yl(phenyl)methyl]quinoxalin-2-one
CID 141114210
6-[imidazol-1-yl-(3-methylphenyl)methyl]-1H-benzimidazole
CID 14518485
6-[imidazol-1-yl(phenyl)methyl]-3H-1,3-benzothiazol-2-one
CID 58828708
ethyl 4-[4-[imidazol-1-yl(phenyl)methyl]phenoxy]butanoate
CID 139612850
N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
1-[(5-chloro-1-benzofuran-2-yl)-phenylmethyl]imidazole
CID 21277774
(2Z)-2-(aminomethylidene)-6-[imidazol-1-yl-(4-methylphenyl)methyl]-4-phenylquinolin-1-amine
CID 142003740

Frequently Asked Questions

What is the IUPAC name of 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline?
The IUPAC name of 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline (CID 19875835) is 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline.
What is the SMILES notation for 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline?
The canonical SMILES for 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline is Cc1nc2ccc(C(c3ccccc3)n3ccnc3)cc2nc1C.
What is the InChIKey of 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline?
The InChIKey is HTETVDJDMWVCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4/c1-14-15(2)23-19-12-17(8-9-18(19)22-14)20(24-11-10-21-13-24)16-6-4-3-5-7-16/h3-13,20H,1-2H3.
What are the key properties of 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline?
6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline has a molecular weight of 314.39 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[imidazol-1-yl(phenyl)methyl]-2,3-dimethylquinoxaline is sourced from PubChem (CID 19875835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).