3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine

C28H23N5O2 — CID 24946965

IUPAC3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4ccc(-n5cnc6ccccc65)cc4)n3n2)cc1OC
InChIInChI=1S/C28H23N5O2/c1-18-28(19-8-11-21(12-9-19)32-17-29-23-6-4-5-7-24(23)32)33-27(30-18)15-13-22(31-33)20-10-14-25(34-2)26(16-20)35-3/h4-17H,1-3H3
InChIKeyNBTJUTWFDCLLSU-UHFFFAOYSA-N
MW461.53 g/mol
LogP5.73
Rot. Bonds5

About 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine

3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine (PubChem CID 24946965) has the molecular formula C28H23N5O2 and a molecular weight of 461.53 g/mol. Its IUPAC name is 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
PubChem CID24946965
Molecular FormulaC28H23N5O2
Molecular Weight461.53 g/mol
Exact Mass461.19
IUPAC Name3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine
SMILESCOc1ccc(-c2ccc3nc(C)c(-c4ccc(-n5cnc6ccccc65)cc4)n3n2)cc1OC
InChIInChI=1S/C28H23N5O2/c1-18-28(19-8-11-21(12-9-19)32-17-29-23-6-4-5-7-24(23)32)33-27(30-18)15-13-22(31-33)20-10-14-25(34-2)26(16-20)35-3/h4-17H,1-3H3
InChIKeyNBTJUTWFDCLLSU-UHFFFAOYSA-N
XLogP5.73
TPSA66.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.53
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine (CID 24946965) is 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine is COc1ccc(-c2ccc3nc(C)c(-c4ccc(-n5cnc6ccccc65)cc4)n3n2)cc1OC.
What is the InChIKey of 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine?
The InChIKey is NBTJUTWFDCLLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2/c1-18-28(19-8-11-21(12-9-19)32-17-29-23-6-4-5-7-24(23)32)33-27(30-18)15-13-22(31-33)20-10-14-25(34-2)26(16-20)35-3/h4-17H,1-3H3.
What are the key properties of 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine?
3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine has a molecular weight of 461.53 g/mol, XLogP of 5.73, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(benzimidazol-1-yl)phenyl]-6-(3,4-dimethoxyphenyl)-2-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 24946965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).