N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide

C12H15N3OS — CID 2729289

IUPACN-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
SMILESCCCSc1ccc2nc(NC(C)=O)[nH]c2c1
InChIInChI=1S/C12H15N3OS/c1-3-6-17-9-4-5-10-11(7-9)15-12(14-10)13-8(2)16/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyWGVYAKQGUNSPTA-UHFFFAOYSA-N
MW249.34 g/mol
LogP3.02
Rot. Bonds4

About N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide

N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide (PubChem CID 2729289) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
PubChem CID2729289
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC NameN-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
SMILESCCCSc1ccc2nc(NC(C)=O)[nH]c2c1
InChIInChI=1S/C12H15N3OS/c1-3-6-17-9-4-5-10-11(7-9)15-12(14-10)13-8(2)16/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyWGVYAKQGUNSPTA-UHFFFAOYSA-N
XLogP3.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-4-methylsulfanyl-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)butanamide
CID 165389323
2-[(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)sulfanyl]-N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide
CID 2982642
[6-[(E)-pent-3-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21318020
[6-[(E)-but-2-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 21328024
methyl N-[5,6-bis(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
CID 10065812
methyl N-[6-(4-acetamidophenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 13484916
3-[(2-methyl-3H-benzimidazol-5-yl)sulfanyl]propanoic acid
CID 116852883
[6-[(Z)-prop-1-enyl]sulfanyl-1H-benzimidazol-2-yl]carbamic acid
CID 70609051
methyl N-(6-phenylsulfanyl-1H-benzimidazol-2-yl)carbamate
CID 23190345
methyl N-[6-(4-methoxyphenyl)sulfanyl-1H-benzimidazol-2-yl]carbamate
CID 11221181
N-[6-(2-methylpropylsulfamoyl)-1H-benzimidazol-2-yl]acetamide
CID 141078201
1-(4-methoxyphenyl)-3-[(E)-1-(6-propylsulfanyl-1H-benzimidazol-2-yl)ethylideneamino]thiourea
CID 163265280

Frequently Asked Questions

What is the IUPAC name of N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide?
The IUPAC name of N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide (CID 2729289) is N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide.
What is the SMILES notation for N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide?
The canonical SMILES for N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide is CCCSc1ccc2nc(NC(C)=O)[nH]c2c1.
What is the InChIKey of N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide?
The InChIKey is WGVYAKQGUNSPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-3-6-17-9-4-5-10-11(7-9)15-12(14-10)13-8(2)16/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16).
What are the key properties of N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide?
N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide has a molecular weight of 249.34 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-propylsulfanyl-1H-benzimidazol-2-yl)acetamide is sourced from PubChem (CID 2729289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).