5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole

C13H12N4 — CID 104670981

IUPAC5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
SMILESCc1cc2nc(-c3ccnnc3)[nH]c2cc1C
InChIInChI=1S/C13H12N4/c1-8-5-11-12(6-9(8)2)17-13(16-11)10-3-4-14-15-7-10/h3-7H,1-2H3,(H,16,17)
InChIKeyYKMDILVGQZSCIF-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.64
Rot. Bonds1

About 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole

5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole (PubChem CID 104670981) has the molecular formula C13H12N4 and a molecular weight of 224.27 g/mol. Its IUPAC name is 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
PubChem CID104670981
Molecular FormulaC13H12N4
Molecular Weight224.27 g/mol
Exact Mass224.11
IUPAC Name5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
SMILESCc1cc2nc(-c3ccnnc3)[nH]c2cc1C
InChIInChI=1S/C13H12N4/c1-8-5-11-12(6-9(8)2)17-13(16-11)10-3-4-14-15-7-10/h3-7H,1-2H3,(H,16,17)
InChIKeyYKMDILVGQZSCIF-UHFFFAOYSA-N
XLogP2.64
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
CID 19852040
4-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 14641349
2-[4-(5,6-dimethoxy-1H-benzimidazol-2-yl)phenyl]-5,6-dimethyl-1H-benzimidazole
CID 153404282
4-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylphenol
CID 136751417
5-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylbenzene-1,3-diamine
CID 56736956
4-(5,6-dimethyl-1H-benzimidazol-2-yl)benzaldehyde
CID 18426791
2-(3-chloro-4-iodophenyl)-5,6-dimethyl-1H-benzimidazole
CID 103222477
2-(3-chloro-4-fluorophenyl)-5,6-dimethyl-1H-benzimidazole
CID 82880012
5,6-dimethyl-2-[4-(1,2,2-triphenylethenyl)phenyl]-1H-benzimidazole
CID 139202619
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
5,6-dimethyl-2-(3-propan-2-yloxyphenyl)-1H-benzimidazole
CID 63399466
2,3-dichloro-5-(5,6-dimethyl-1H-benzimidazol-2-yl)aniline
CID 56736961

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole?
The IUPAC name of 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole (CID 104670981) is 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole.
What is the SMILES notation for 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole?
The canonical SMILES for 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole is Cc1cc2nc(-c3ccnnc3)[nH]c2cc1C.
What is the InChIKey of 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole?
The InChIKey is YKMDILVGQZSCIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4/c1-8-5-11-12(6-9(8)2)17-13(16-11)10-3-4-14-15-7-10/h3-7H,1-2H3,(H,16,17).
What are the key properties of 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole?
5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole has a molecular weight of 224.27 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole is sourced from PubChem (CID 104670981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).