5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline

C16H12N4 — CID 104615378

IUPAC5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline
SMILESCc1cccc2[nH]c(-c3cccc4nccnc34)nc12
InChIInChI=1S/C16H12N4/c1-10-4-2-7-13-14(10)20-16(19-13)11-5-3-6-12-15(11)18-9-8-17-12/h2-9H,1H3,(H,19,20)
InChIKeyBZACUWXDMLGSLG-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.48
Rot. Bonds1

About 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline

5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline (PubChem CID 104615378) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline.

Molecular Properties

Compound Name5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline
PubChem CID104615378
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline
SMILESCc1cccc2[nH]c(-c3cccc4nccnc34)nc12
InChIInChI=1S/C16H12N4/c1-10-4-2-7-13-14(10)20-16(19-13)11-5-3-6-12-15(11)18-9-8-17-12/h2-9H,1H3,(H,19,20)
InChIKeyBZACUWXDMLGSLG-UHFFFAOYSA-N
XLogP3.48
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320
2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
CID 107983005
5-(4,6-difluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615392
5-(7H-purin-8-yl)quinoxaline
CID 114402530
2-(2-ethoxyphenyl)-4-methyl-1H-benzimidazole
CID 60646509
2-(5-fluoro-2-methylphenyl)-4-methyl-1H-benzimidazole
CID 64722292
2-(4-fluoro-1H-benzimidazol-2-yl)-6-methylaniline
CID 60783667
4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
CID 46986154
4-methyl-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 64723101
N,N-dimethyl-4-(4-methyl-1H-benzimidazol-2-yl)naphthalen-1-amine
CID 70123038

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline?
The IUPAC name of 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline (CID 104615378) is 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline.
What is the SMILES notation for 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline?
The canonical SMILES for 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline is Cc1cccc2[nH]c(-c3cccc4nccnc34)nc12.
What is the InChIKey of 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline?
The InChIKey is BZACUWXDMLGSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-10-4-2-7-13-14(10)20-16(19-13)11-5-3-6-12-15(11)18-9-8-17-12/h2-9H,1H3,(H,19,20).
What are the key properties of 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline?
5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline has a molecular weight of 260.30 g/mol, XLogP of 3.48, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline is sourced from PubChem (CID 104615378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).