N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide

C24H20N4O2S — CID 56596229

IUPACN-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESCN(C(=O)c1ccc2ncsc2c1)c1ccc(OCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C24H20N4O2S/c1-27(24(29)16-7-12-20-22(13-16)31-15-25-20)17-8-10-18(11-9-17)30-14-23-26-19-5-3-4-6-21(19)28(23)2/h3-13,15H,14H2,1-2H3
InChIKeyGIBNGIKFKPGSGK-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.04
Rot. Bonds5

About N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide

N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide (PubChem CID 56596229) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide
PubChem CID56596229
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC NameN-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide
SMILESCN(C(=O)c1ccc2ncsc2c1)c1ccc(OCc2nc3ccccc3n2C)cc1
InChIInChI=1S/C24H20N4O2S/c1-27(24(29)16-7-12-20-22(13-16)31-15-25-20)17-8-10-18(11-9-17)30-14-23-26-19-5-3-4-6-21(19)28(23)2/h3-13,15H,14H2,1-2H3
InChIKeyGIBNGIKFKPGSGK-UHFFFAOYSA-N
XLogP5.04
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide?
The IUPAC name of N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide (CID 56596229) is N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide.
What is the SMILES notation for N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide?
The canonical SMILES for N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide is CN(C(=O)c1ccc2ncsc2c1)c1ccc(OCc2nc3ccccc3n2C)cc1.
What is the InChIKey of N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide?
The InChIKey is GIBNGIKFKPGSGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-27(24(29)16-7-12-20-22(13-16)31-15-25-20)17-8-10-18(11-9-17)30-14-23-26-19-5-3-4-6-21(19)28(23)2/h3-13,15H,14H2,1-2H3.
What are the key properties of N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide?
N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide has a molecular weight of 428.52 g/mol, XLogP of 5.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(1-methylbenzimidazol-2-yl)methoxy]phenyl]-1,3-benzothiazole-6-carboxamide is sourced from PubChem (CID 56596229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).