N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide

C15H14N4OS — CID 21008866

IUPACN-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4OS/c20-14(10-21-15-7-3-4-8-16-15)17-9-13-18-11-5-1-2-6-12(11)19-13/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKeyFPTRKHLDMCWKLU-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.37
Rot. Bonds5

About N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide

N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 21008866) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID21008866
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC NameN-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)NCc1nc2ccccc2[nH]1
InChIInChI=1S/C15H14N4OS/c20-14(10-21-15-7-3-4-8-16-15)17-9-13-18-11-5-1-2-6-12(11)19-13/h1-8H,9-10H2,(H,17,20)(H,18,19)
InChIKeyFPTRKHLDMCWKLU-UHFFFAOYSA-N
XLogP2.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
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CID 51143918
N-(1H-benzimidazol-2-ylmethyl)-2-sulfanylacetamide
CID 58957158
N-(1H-benzimidazol-2-ylmethyl)-2-(8-chloronaphthalen-1-yl)sulfanylacetamide
CID 112791105
N-(1H-benzimidazol-2-ylmethyl)-4-[[4-(1H-benzimidazol-2-ylmethylamino)-4-oxobutyl]disulfanyl]butanamide
CID 118554955
N-(1H-benzimidazol-2-ylmethyl)-2-(4-hydroxyphenyl)acetamide
CID 47008572
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-benzylacetamide
CID 847863
N-(1H-benzimidazol-2-ylmethyl)-3-(2-chlorophenyl)sulfanylpropanamide
CID 112791121
N-(1H-benzimidazol-2-ylmethyl)-2-(4-propoxyphenoxy)acetamide
CID 78769748
N-(1H-benzimidazol-2-ylmethyl)-2-(2,3-dichlorophenoxy)acetamide
CID 59018424
N-(1H-benzimidazol-2-ylmethyl)pyridin-2-amine
CID 150607804
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CID 18105142

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide (CID 21008866) is N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)NCc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is FPTRKHLDMCWKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c20-14(10-21-15-7-3-4-8-16-15)17-9-13-18-11-5-1-2-6-12(11)19-13/h1-8H,9-10H2,(H,17,20)(H,18,19).
What are the key properties of N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide?
N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 298.37 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-ylmethyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 21008866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).