N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

C21H15N5O2S — CID 55632014

IUPACN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C21H15N5O2S/c27-20(12-29-21-25-16-6-2-4-8-18(16)28-21)24-14-9-10-19(22-11-14)26-13-23-15-5-1-3-7-17(15)26/h1-11,13H,12H2,(H,24,27)
InChIKeyJFDRKNSLZYEZOH-UHFFFAOYSA-N
MW401.45 g/mol
LogP4.29
Rot. Bonds5

About N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide

N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (PubChem CID 55632014) has the molecular formula C21H15N5O2S and a molecular weight of 401.45 g/mol. Its IUPAC name is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
PubChem CID55632014
Molecular FormulaC21H15N5O2S
Molecular Weight401.45 g/mol
Exact Mass401.09
IUPAC NameN-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide
SMILESO=C(CSc1nc2ccccc2o1)Nc1ccc(-n2cnc3ccccc32)nc1
InChIInChI=1S/C21H15N5O2S/c27-20(12-29-21-25-16-6-2-4-8-18(16)28-21)24-14-9-10-19(22-11-14)26-13-23-15-5-1-3-7-17(15)26/h1-11,13H,12H2,(H,24,27)
InChIKeyJFDRKNSLZYEZOH-UHFFFAOYSA-N
XLogP4.29
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)-N-pyridin-3-ylacetamide
CID 12706412
N-[6-(benzimidazol-1-yl)-3-pyridinyl]pentanamide
CID 134004728
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(2-fluorophenyl)acetamide
CID 134004771
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-[(1S)-cyclopent-2-en-1-yl]acetamide
CID 51935910
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-methylphenyl)acetamide
CID 742356
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(4-chloro-3-fluorophenyl)acetamide
CID 1219106
2-(1,3-benzoxazol-2-ylsulfanyl)-N-(3-chloro-4-methylphenyl)acetamide
CID 975863
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(4-bromophenyl)-4-oxobutanamide
CID 56532152
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 55965551
2-(1,3-benzoxazol-2-ylsulfanyl)-N-[4-(pyridin-4-ylmethoxy)phenyl]acetamide
CID 166195351
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(4-oxocinnolin-1-yl)acetamide
CID 134004829
2-(4-acetylphenoxy)-N-[6-(benzimidazol-1-yl)-3-pyridinyl]acetamide
CID 134004763

Frequently Asked Questions

What is the IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide (CID 55632014) is N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is O=C(CSc1nc2ccccc2o1)Nc1ccc(-n2cnc3ccccc32)nc1.
What is the InChIKey of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
The InChIKey is JFDRKNSLZYEZOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2S/c27-20(12-29-21-25-16-6-2-4-8-18(16)28-21)24-14-9-10-19(22-11-14)26-13-23-15-5-1-3-7-17(15)26/h1-11,13H,12H2,(H,24,27).
What are the key properties of N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide?
N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide has a molecular weight of 401.45 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(benzimidazol-1-yl)-3-pyridinyl]-2-(1,3-benzoxazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 55632014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).