7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline

C22H15ClN4 — CID 177349566

IUPAC7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline
SMILESClCc1ccc(-c2[nH]c3cc4ncnc4cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H15ClN4/c23-12-14-6-8-16(9-7-14)22-21(15-4-2-1-3-5-15)26-19-10-17-18(25-13-24-17)11-20(19)27-22/h1-11,13,27H,12H2
InChIKeyPIGLDDBVFOVAAL-UHFFFAOYSA-N
MW370.84 g/mol
LogP5.58
Rot. Bonds3

About 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline

7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline (PubChem CID 177349566) has the molecular formula C22H15ClN4 and a molecular weight of 370.84 g/mol. Its IUPAC name is 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline.

Molecular Properties

Compound Name7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline
PubChem CID177349566
Molecular FormulaC22H15ClN4
Molecular Weight370.84 g/mol
Exact Mass370.10
IUPAC Name7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline
SMILESClCc1ccc(-c2[nH]c3cc4ncnc4cc3nc2-c2ccccc2)cc1
InChIInChI=1S/C22H15ClN4/c23-12-14-6-8-16(9-7-14)22-21(15-4-2-1-3-5-15)26-19-10-17-18(25-13-24-17)11-20(19)27-22/h1-11,13,27H,12H2
InChIKeyPIGLDDBVFOVAAL-UHFFFAOYSA-N
XLogP5.58
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.84
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[1-[[4-(6-phenyl-8H-imidazo[4,5-g]quinoxalin-7-yl)phenyl]methyl]piperidin-4-yl]prop-2-enamide
CID 177349687
1-(chloromethyl)-4-phenylbenzene
CID 15463
6-(chloromethyl)-2-phenyl-1H-benzimidazole;hydrochloride
CID 14518404
4-phenyl-2,5-bis(4-phenylphenyl)-1H-imidazole
CID 134113623
5-[4-[4-(2,4-diphenyl-1H-imidazol-5-yl)phenyl]phenyl]-2,4-diphenyl-1H-imidazole
CID 3106607
2-(3-methoxy-4-phenylmethoxyphenyl)-4-[4-[2-(3-methoxy-4-phenylmethoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]-5-phenyl-1H-imidazole
CID 135473929
2-[[6-chloro-5-(4-phenylphenyl)-1H-pyrrolo[3,2-b]pyridin-2-yl]oxy]ethanol
CID 90435460
2-[4-(chloromethyl)phenyl]-5-fluoro-3-methylquinoline
CID 88992498
2-(3-iodophenyl)-4-[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
CID 135398995
(4,5-diphenyl-1H-imidazol-2-yl)methanol
CID 63926988
5-(4-chlorophenyl)-2-naphthalen-2-yl-4-phenyl-1H-imidazole
CID 138455379
2-chloro-5-(4-methylphenyl)-4-phenyl-1H-imidazole
CID 57100935

Frequently Asked Questions

What is the IUPAC name of 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline?
The IUPAC name of 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline (CID 177349566) is 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline.
What is the SMILES notation for 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline?
The canonical SMILES for 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline is ClCc1ccc(-c2[nH]c3cc4ncnc4cc3nc2-c2ccccc2)cc1.
What is the InChIKey of 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline?
The InChIKey is PIGLDDBVFOVAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN4/c23-12-14-6-8-16(9-7-14)22-21(15-4-2-1-3-5-15)26-19-10-17-18(25-13-24-17)11-20(19)27-22/h1-11,13,27H,12H2.
What are the key properties of 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline?
7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline has a molecular weight of 370.84 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(chloromethyl)phenyl]-6-phenyl-8H-imidazo[4,5-g]quinoxaline is sourced from PubChem (CID 177349566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).