1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide

C25H24N6O3 — CID 53066134

IUPAC1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCn4c3nc3ccccc34)n2)cc1C
InChIInChI=1S/C25H24N6O3/c1-16-7-8-18(15-17(16)2)26-24(34)20-9-10-23(33)31(28-20)12-11-22(32)30-14-13-29-21-6-4-3-5-19(21)27-25(29)30/h3-10,15H,11-14H2,1-2H3,(H,26,34)
InChIKeyFKZIJTDBYBVXMO-UHFFFAOYSA-N
MW456.51 g/mol
LogP2.90
Rot. Bonds5

About 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide

1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide (PubChem CID 53066134) has the molecular formula C25H24N6O3 and a molecular weight of 456.51 g/mol. Its IUPAC name is 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
PubChem CID53066134
Molecular FormulaC25H24N6O3
Molecular Weight456.51 g/mol
Exact Mass456.19
IUPAC Name1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCn4c3nc3ccccc34)n2)cc1C
InChIInChI=1S/C25H24N6O3/c1-16-7-8-18(15-17(16)2)26-24(34)20-9-10-23(33)31(28-20)12-11-22(32)30-14-13-29-21-6-4-3-5-19(21)27-25(29)30/h3-10,15H,11-14H2,1-2H3,(H,26,34)
InChIKeyFKZIJTDBYBVXMO-UHFFFAOYSA-N
XLogP2.90
TPSA102.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.51
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide (CID 53066134) is 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(=O)n(CCC(=O)N3CCn4c3nc3ccccc34)n2)cc1C.
What is the InChIKey of 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is FKZIJTDBYBVXMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O3/c1-16-7-8-18(15-17(16)2)26-24(34)20-9-10-23(33)31(28-20)12-11-22(32)30-14-13-29-21-6-4-3-5-19(21)27-25(29)30/h3-10,15H,11-14H2,1-2H3,(H,26,34).
What are the key properties of 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide?
1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 456.51 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-3-oxopropyl]-N-(3,4-dimethylphenyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 53066134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).