2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide

C21H24N4OS — CID 49364541

IUPAC2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
SMILESCc1cc(N2CCSCC2)ccc1NC(=O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C21H24N4OS/c1-15-13-17(24-9-11-27-12-10-24)7-8-18(15)23-21(26)14-25-16(2)22-19-5-3-4-6-20(19)25/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyIWJISKHRFWIMIJ-UHFFFAOYSA-N
MW380.52 g/mol
LogP3.85
Rot. Bonds4

About 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide

2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide (PubChem CID 49364541) has the molecular formula C21H24N4OS and a molecular weight of 380.52 g/mol. Its IUPAC name is 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
PubChem CID49364541
Molecular FormulaC21H24N4OS
Molecular Weight380.52 g/mol
Exact Mass380.17
IUPAC Name2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
SMILESCc1cc(N2CCSCC2)ccc1NC(=O)Cn1c(C)nc2ccccc21
InChIInChI=1S/C21H24N4OS/c1-15-13-17(24-9-11-27-12-10-24)7-8-18(15)23-21(26)14-25-16(2)22-19-5-3-4-6-20(19)25/h3-8,13H,9-12,14H2,1-2H3,(H,23,26)
InChIKeyIWJISKHRFWIMIJ-UHFFFAOYSA-N
XLogP3.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.52
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methylsulfanyl-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide
CID 49365274
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-2-(2-methylindol-1-yl)acetamide
CID 37321688
methyl 2-[[2-(2-methylbenzimidazol-1-yl)acetyl]amino]benzoate
CID 18166122
N-(2-cyanophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 40689130
2-(2-ethylbenzimidazol-1-yl)-N-(4-fluoro-2-methylphenyl)acetamide
CID 26286960
N-[4-(3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-2-yl)-2-methylphenyl]butanamide
CID 46268849
2-(2-methylbenzimidazol-1-yl)-1-[4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 51287699
N-(4-iodophenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755726
N-(2-acetamidoethyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 47131203
N-cyclopropyl-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755737
N-(2,4-dimethylphenyl)-2-[2-[(E)-2-phenylethenyl]benzimidazol-1-yl]acetamide
CID 17031753
N-(2,6-dichloro-3-methylphenyl)-2-(2-methylbenzimidazol-1-yl)acetamide
CID 7755761

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide (CID 49364541) is 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide is Cc1cc(N2CCSCC2)ccc1NC(=O)Cn1c(C)nc2ccccc21.
What is the InChIKey of 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide?
The InChIKey is IWJISKHRFWIMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4OS/c1-15-13-17(24-9-11-27-12-10-24)7-8-18(15)23-21(26)14-25-16(2)22-19-5-3-4-6-20(19)25/h3-8,13H,9-12,14H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide?
2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide has a molecular weight of 380.52 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbenzimidazol-1-yl)-N-(2-methyl-4-thiomorpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 49364541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).