N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

C20H20N4O2S — CID 18110836

IUPACN-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NCc2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-2-11-23-15-8-4-5-9-16(15)24(20(23)26)13-18(25)21-12-19-22-14-7-3-6-10-17(14)27-19/h3-10H,2,11-13H2,1H3,(H,21,25)
InChIKeyAJZDQYCQBBRBCX-UHFFFAOYSA-N
MW380.47 g/mol
LogP3.14
Rot. Bonds6

About N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide

N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (PubChem CID 18110836) has the molecular formula C20H20N4O2S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
PubChem CID18110836
Molecular FormulaC20H20N4O2S
Molecular Weight380.47 g/mol
Exact Mass380.13
IUPAC NameN-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
SMILESCCCn1c(=O)n(CC(=O)NCc2nc3ccccc3s2)c2ccccc21
InChIInChI=1S/C20H20N4O2S/c1-2-11-23-15-8-4-5-9-16(15)24(20(23)26)13-18(25)21-12-19-22-14-7-3-6-10-17(14)27-19/h3-10H,2,11-13H2,1H3,(H,21,25)
InChIKeyAJZDQYCQBBRBCX-UHFFFAOYSA-N
XLogP3.14
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)propyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 38900942
N-(1,3-benzothiazol-2-ylmethyl)-2-ethoxyacetamide
CID 60657144
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
N-(1,3-benzothiazol-2-ylmethyl)-2-propan-2-ylsulfanylacetamide
CID 31848340
N-(1,3-benzothiazol-2-ylmethyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18110819
N-(1,3-benzothiazol-2-ylmethyl)-2-(propan-2-ylamino)acetamide
CID 60730154
1-(1,3-benzothiazol-2-ylmethyl)-3-methylurea
CID 23548661
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 18142627
N-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanamide
CID 47098657
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 78810816
2-(2-oxo-3-propylbenzimidazol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 18130049
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-methoxyethoxy)acetamide
CID 103601969

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide (CID 18110836) is N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is CCCn1c(=O)n(CC(=O)NCc2nc3ccccc3s2)c2ccccc21.
What is the InChIKey of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
The InChIKey is AJZDQYCQBBRBCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2S/c1-2-11-23-15-8-4-5-9-16(15)24(20(23)26)13-18(25)21-12-19-22-14-7-3-6-10-17(14)27-19/h3-10H,2,11-13H2,1H3,(H,21,25).
What are the key properties of N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide?
N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide has a molecular weight of 380.47 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-ylmethyl)-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 18110836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).