2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide

C15H21N3OS — CID 4809882

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C15H21N3OS/c1-4-5-11(3)16-14(19)9-20-15-17-12-7-6-10(2)8-13(12)18-15/h6-8,11H,4-5,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFCGAKFDUQWHTBB-UHFFFAOYSA-N
MW291.42 g/mol
LogP3.27
Rot. Bonds6

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide (PubChem CID 4809882) has the molecular formula C15H21N3OS and a molecular weight of 291.42 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide
PubChem CID4809882
Molecular FormulaC15H21N3OS
Molecular Weight291.42 g/mol
Exact Mass291.14
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1nc2ccc(C)cc2[nH]1
InChIInChI=1S/C15H21N3OS/c1-4-5-11(3)16-14(19)9-20-15-17-12-7-6-10(2)8-13(12)18-15/h6-8,11H,4-5,9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyFCGAKFDUQWHTBB-UHFFFAOYSA-N
XLogP3.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide (CID 4809882) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CSc1nc2ccc(C)cc2[nH]1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide?
The InChIKey is FCGAKFDUQWHTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3OS/c1-4-5-11(3)16-14(19)9-20-15-17-12-7-6-10(2)8-13(12)18-15/h6-8,11H,4-5,9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide has a molecular weight of 291.42 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pentan-2-ylacetamide is sourced from PubChem (CID 4809882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).