N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

C19H18N4O2S — CID 18141671

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCN(C(=O)Cn1c(=O)n(C)c2ccccc21)c1nc2ccccc2s1
InChIInChI=1S/C19H18N4O2S/c1-3-22(18-20-13-8-4-7-11-16(13)26-18)17(24)12-23-15-10-6-5-9-14(15)21(2)19(23)25/h4-11H,3,12H2,1-2H3
InChIKeyQHXCNHZYVQWIJG-UHFFFAOYSA-N
MW366.45 g/mol
LogP3.00
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (PubChem CID 18141671) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
PubChem CID18141671
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
SMILESCCN(C(=O)Cn1c(=O)n(C)c2ccccc21)c1nc2ccccc2s1
InChIInChI=1S/C19H18N4O2S/c1-3-22(18-20-13-8-4-7-11-16(13)26-18)17(24)12-23-15-10-6-5-9-14(15)21(2)19(23)25/h4-11H,3,12H2,1-2H3
InChIKeyQHXCNHZYVQWIJG-UHFFFAOYSA-N
XLogP3.00
TPSA60.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide (CID 18141671) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is CCN(C(=O)Cn1c(=O)n(C)c2ccccc21)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
The InChIKey is QHXCNHZYVQWIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c1-3-22(18-20-13-8-4-7-11-16(13)26-18)17(24)12-23-15-10-6-5-9-14(15)21(2)19(23)25/h4-11H,3,12H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide has a molecular weight of 366.45 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide is sourced from PubChem (CID 18141671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).