2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide

C15H19ClN4O2S — CID 47046616

IUPAC2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN4O2S/c1-9(2)7-17-14(22)19-13(21)8-23-15-18-11-6-10(16)4-5-12(11)20(15)3/h4-6,9H,7-8H2,1-3H3,(H2,17,19,21,22)
InChIKeyXTQBXFBZAJHBGN-UHFFFAOYSA-N
MW354.86 g/mol
LogP2.80
Rot. Bonds5

About 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide

2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide (PubChem CID 47046616) has the molecular formula C15H19ClN4O2S and a molecular weight of 354.86 g/mol. Its IUPAC name is 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
PubChem CID47046616
Molecular FormulaC15H19ClN4O2S
Molecular Weight354.86 g/mol
Exact Mass354.09
IUPAC Name2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide
SMILESCC(C)CNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2n1C
InChIInChI=1S/C15H19ClN4O2S/c1-9(2)7-17-14(22)19-13(21)8-23-15-18-11-6-10(16)4-5-12(11)20(15)3/h4-6,9H,7-8H2,1-3H3,(H2,17,19,21,22)
InChIKeyXTQBXFBZAJHBGN-UHFFFAOYSA-N
XLogP2.80
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.86
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The IUPAC name of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide (CID 47046616) is 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The canonical SMILES for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide is CC(C)CNC(=O)NC(=O)CSc1nc2cc(Cl)ccc2n1C.
What is the InChIKey of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
The InChIKey is XTQBXFBZAJHBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O2S/c1-9(2)7-17-14(22)19-13(21)8-23-15-18-11-6-10(16)4-5-12(11)20(15)3/h4-6,9H,7-8H2,1-3H3,(H2,17,19,21,22).
What are the key properties of 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide?
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide has a molecular weight of 354.86 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)acetamide is sourced from PubChem (CID 47046616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).