7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride

C15H17Cl2N5 — CID 19852040

IUPAC7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
SMILESCC1(C)CNc2cc3nc(-c4ccnnc4)[nH]c3cc21.Cl.Cl
InChIInChI=1S/C15H15N5.2ClH/c1-15(2)8-16-11-6-13-12(5-10(11)15)19-14(20-13)9-3-4-17-18-7-9;;/h3-7,16H,8H2,1-2H3,(H,19,20);2*1H
InChIKeyDXZCCWGDMFFIOS-UHFFFAOYSA-N
MW338.24 g/mol
LogP3.57
Rot. Bonds1

About 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride

7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride (PubChem CID 19852040) has the molecular formula C15H17Cl2N5 and a molecular weight of 338.24 g/mol. Its IUPAC name is 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride.

Molecular Properties

Compound Name7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
PubChem CID19852040
Molecular FormulaC15H17Cl2N5
Molecular Weight338.24 g/mol
Exact Mass337.09
IUPAC Name7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
SMILESCC1(C)CNc2cc3nc(-c4ccnnc4)[nH]c3cc21.Cl.Cl
InChIInChI=1S/C15H15N5.2ClH/c1-15(2)8-16-11-6-13-12(5-10(11)15)19-14(20-13)9-3-4-17-18-7-9;;/h3-7,16H,8H2,1-2H3,(H,19,20);2*1H
InChIKeyDXZCCWGDMFFIOS-UHFFFAOYSA-N
XLogP3.57
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.24
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104670981
7,7-dimethyl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride
CID 19852053
7,7-dimethyl-2-pyridin-4-yl-1,5-dihydropyrrolo[2,3-f]benzimidazol-6-one;tetrahydrate
CID 22162173
4-(8,8-dimethyl-6-oxo-5,7-dihydro-1H-imidazo[4,5-g]quinolin-2-yl)benzoic acid
CID 19896803
2-[4-(hydroxymethyl)phenyl]-8,8-dimethyl-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896841
7,7-dimethyl-2-pyridin-4-yl-5,8-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 14209944
7-methyl-6-oxo-2-pyridin-3-yl-1,5-dihydropyrrolo[2,3-f]benzimidazole-7-carbonitrile
CID 22162187
2-pyridin-3-yl-1H-benzo[f]benzimidazole
CID 3152015
4-methylsulfonyl-2-pyridazin-4-yl-1H-benzimidazole
CID 104671046
8,8-dimethyl-2-(4-morpholin-4-ylsulfonylphenyl)-5,7-dihydro-1H-imidazo[4,5-g]quinolin-6-one
CID 19896862
5,8,8-trimethyl-2-pyridin-4-yl-1H-imidazo[4,5-g][3,1]benzoxazin-6-one
CID 57270015
2-phenyl-1H-benzo[f]benzimidazole
CID 13074514

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride?
The IUPAC name of 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride (CID 19852040) is 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride.
What is the SMILES notation for 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride?
The canonical SMILES for 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride is CC1(C)CNc2cc3nc(-c4ccnnc4)[nH]c3cc21.Cl.Cl.
What is the InChIKey of 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride?
The InChIKey is DXZCCWGDMFFIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5.2ClH/c1-15(2)8-16-11-6-13-12(5-10(11)15)19-14(20-13)9-3-4-17-18-7-9;;/h3-7,16H,8H2,1-2H3,(H,19,20);2*1H.
What are the key properties of 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride?
7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride has a molecular weight of 338.24 g/mol, XLogP of 3.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-2-pyridazin-4-yl-5,6-dihydro-1H-pyrrolo[2,3-f]benzimidazole;dihydrochloride is sourced from PubChem (CID 19852040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).