4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole

C15H12N4O — CID 46986154

IUPAC4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
SMILESCc1ccc2[nH]c(-c3cccc4nonc34)nc2c1C
InChIInChI=1S/C15H12N4O/c1-8-6-7-11-13(9(8)2)17-15(16-11)10-4-3-5-12-14(10)19-20-18-12/h3-7H,1-2H3,(H,16,17)
InChIKeyNQULORULCOHTNG-UHFFFAOYSA-N
MW264.29 g/mol
LogP3.38
Rot. Bonds1

About 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole

4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole (PubChem CID 46986154) has the molecular formula C15H12N4O and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole.

Molecular Properties

Compound Name4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
PubChem CID46986154
Molecular FormulaC15H12N4O
Molecular Weight264.29 g/mol
Exact Mass264.10
IUPAC Name4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole
SMILESCc1ccc2[nH]c(-c3cccc4nonc34)nc2c1C
InChIInChI=1S/C15H12N4O/c1-8-6-7-11-13(9(8)2)17-15(16-11)10-4-3-5-12-14(10)19-20-18-12/h3-7H,1-2H3,(H,16,17)
InChIKeyNQULORULCOHTNG-UHFFFAOYSA-N
XLogP3.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-methyl-1H-benzimidazol-2-yl)quinoxaline
CID 104615378
4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-2,1,3-benzoxadiazole
CID 59785439
2-[2-(1H-benzimidazol-2-yl)-3,4-dimethylphenyl]-1H-benzimidazole
CID 22475730
4-methyl-2-(2-methylphenyl)-1H-benzimidazole
CID 59018429
ethane;2,4,5-trimethyl-1H-benzimidazole
CID 142026179
4,5-dimethyl-2-thiophen-3-yl-1H-benzimidazole
CID 2799872
5-(4-fluoro-1H-benzimidazol-2-yl)quinoxaline
CID 104615382
2-(2-bromo-3-methylphenyl)-4-methyl-1H-benzimidazole
CID 107983005
2-[1-(1H-benzimidazol-2-yl)propyl]-4,5-dimethyl-1H-benzimidazole
CID 151827175
1-(2,1,3-benzoxadiazol-5-yl)-N-[(4,5-dimethyl-1H-benzimidazol-2-yl)methyl]-N-methylmethanamine
CID 50968379
5-chloro-2-(2-fluorophenyl)-4-methyl-1H-benzimidazole
CID 112741138
2-(2,3-difluorophenyl)-4-methyl-1H-benzimidazole
CID 64724320

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole?
The IUPAC name of 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole (CID 46986154) is 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole.
What is the SMILES notation for 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole?
The canonical SMILES for 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole is Cc1ccc2[nH]c(-c3cccc4nonc34)nc2c1C.
What is the InChIKey of 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole?
The InChIKey is NQULORULCOHTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O/c1-8-6-7-11-13(9(8)2)17-15(16-11)10-4-3-5-12-14(10)19-20-18-12/h3-7H,1-2H3,(H,16,17).
What are the key properties of 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole?
4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole has a molecular weight of 264.29 g/mol, XLogP of 3.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1H-benzimidazol-2-yl)-2,1,3-benzoxadiazole is sourced from PubChem (CID 46986154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).