6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine

C23H20N4O2S — CID 71549587

IUPAC6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine
SMILESCOc1cc2ncn(Cc3ccc4nc(Nc5ccccc5)sc4c3)c2cc1OC
InChIInChI=1S/C23H20N4O2S/c1-28-20-11-18-19(12-21(20)29-2)27(14-24-18)13-15-8-9-17-22(10-15)30-23(26-17)25-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyFBFUOMRPTMYFCQ-UHFFFAOYSA-N
MW416.51 g/mol
LogP5.46
Rot. Bonds6

About 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine

6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine (PubChem CID 71549587) has the molecular formula C23H20N4O2S and a molecular weight of 416.51 g/mol. Its IUPAC name is 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine
PubChem CID71549587
Molecular FormulaC23H20N4O2S
Molecular Weight416.51 g/mol
Exact Mass416.13
IUPAC Name6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine
SMILESCOc1cc2ncn(Cc3ccc4nc(Nc5ccccc5)sc4c3)c2cc1OC
InChIInChI=1S/C23H20N4O2S/c1-28-20-11-18-19(12-21(20)29-2)27(14-24-18)13-15-8-9-17-22(10-15)30-23(26-17)25-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,25,26)
InChIKeyFBFUOMRPTMYFCQ-UHFFFAOYSA-N
XLogP5.46
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.51
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine (CID 71549587) is 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine is COc1cc2ncn(Cc3ccc4nc(Nc5ccccc5)sc4c3)c2cc1OC.
What is the InChIKey of 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine?
The InChIKey is FBFUOMRPTMYFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O2S/c1-28-20-11-18-19(12-21(20)29-2)27(14-24-18)13-15-8-9-17-22(10-15)30-23(26-17)25-16-6-4-3-5-7-16/h3-12,14H,13H2,1-2H3,(H,25,26).
What are the key properties of 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine?
6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine has a molecular weight of 416.51 g/mol, XLogP of 5.46, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5,6-dimethoxybenzimidazol-1-yl)methyl]-N-phenyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 71549587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).