2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide

C21H25N3O2S — CID 1128221

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
SMILESCCc1cccc(CC)c1N(COC)C(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O2S/c1-4-15-9-8-10-16(5-2)20(15)24(14-26-3)19(25)13-27-21-22-17-11-6-7-12-18(17)23-21/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyLWTCKIMIWGZSJE-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.42
Rot. Bonds8

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide (PubChem CID 1128221) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
PubChem CID1128221
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
SMILESCCc1cccc(CC)c1N(COC)C(=O)CSc1nc2ccccc2[nH]1
InChIInChI=1S/C21H25N3O2S/c1-4-15-9-8-10-16(5-2)20(15)24(14-26-3)19(25)13-27-21-22-17-11-6-7-12-18(17)23-21/h6-12H,4-5,13-14H2,1-3H3,(H,22,23)
InChIKeyLWTCKIMIWGZSJE-UHFFFAOYSA-N
XLogP4.42
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N,N-bis(2-methylpropyl)acetamide
CID 1282459
N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 7024475
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-butan-2-yl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
CID 122714449
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 2215507
2-(1H-benzimidazol-2-ylmethylsulfanyl)-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 4037071
2-(1H-benzimidazol-2-ylsulfanyl)-N-phenyl-N-propan-2-ylacetamide chloride
CID 21179427
2-(diethylamino)ethyl 2-(1H-benzimidazol-2-ylsulfanyl)acetate
CID 14947189
2-(1H-benzimidazol-2-ylsulfanyl)-N-methyl-N-(4-methylcyclohexyl)acetamide
CID 40656471
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(5-chlorothiophen-2-yl)methyl]-N-methylacetamide
CID 17426486
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-ethoxyphenyl)acetamide
CID 742340
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)acetamide
CID 4796836
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide (CID 1128221) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide is CCc1cccc(CC)c1N(COC)C(=O)CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide?
The InChIKey is LWTCKIMIWGZSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-4-15-9-8-10-16(5-2)20(15)24(14-26-3)19(25)13-27-21-22-17-11-6-7-12-18(17)23-21/h6-12H,4-5,13-14H2,1-3H3,(H,22,23).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide has a molecular weight of 383.52 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide is sourced from PubChem (CID 1128221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).