2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide

C22H24N4O3S — CID 42326068

IUPAC2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCSCC2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C22H24N4O3S/c1-25-20-17(23-19(27)14-29-2)12-16(22(28)26-8-10-30-11-9-26)13-18(20)24-21(25)15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,27)
InChIKeyGGDZOJMQHCOCTD-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.01
Rot. Bonds5

About 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide

2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide (PubChem CID 42326068) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide
PubChem CID42326068
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC Name2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide
SMILESCOCC(=O)Nc1cc(C(=O)N2CCSCC2)cc2nc(-c3ccccc3)n(C)c12
InChIInChI=1S/C22H24N4O3S/c1-25-20-17(23-19(27)14-29-2)12-16(22(28)26-8-10-30-11-9-26)13-18(20)24-21(25)15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,27)
InChIKeyGGDZOJMQHCOCTD-UHFFFAOYSA-N
XLogP3.01
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2E)-5-[benzene(methyl)amido]-1-(2-carbamoylethyl)-2,3-dihydro-1H-1,3-benzodiazol-2-ylidene]-5-(morpholin-4-yl)thiophene-2-carboxamide
CID 25190539
N-(2-amino-5-phenylphenyl)-1-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide
CID 162710762
N-[2-(2-acetamidoethyl)-1-methylbenzimidazol-5-yl]benzamide
CID 1252284
Morpholin-4-yl-[1-propan-2-yl-2-(trifluoromethyl)benzimidazol-5-yl]methanone
CID 2823608
(4-Benzyl-piperazin-1-yl)-(2-methyl-1H-benzoimidazol-5-yl)-methanone
CID 6487925
2-(4-Acetylphenylamino)-N,N-diisopentyl-1-(3-(piperidin-1-yl)propyl)-1H-benzo[d]imidazole-6-carboxamide
CID 10077773
1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-methyl-1H-benzo[d]imidazole-5-carboxamide
CID 10195094
1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-N-ethyl-1H-benzo[d]imidazole-5-carboxamide
CID 10217158
1-(3-amino-3-oxopropyl)-2-benzamido-N-methyl-N-phenyl-1H-benzo[d]imidazole-5-carboxamide
CID 10288201
N-allyl-1-(3-amino-3-oxopropyl)-2-benzamido-N-cyclohexyl-1H-benzo[d]imidazole-5-carboxamide
CID 10310880
2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-(4-methylpiperazin-1-yl)propyl)-3H-benzo[d]imidazole-5-carboxamide
CID 25217225
2-(4-acetylphenylamino)-N,N-diisopentyl-3-(3-morpholinopropyl)-3H-benzo[d]imidazole-5-carboxamide
CID 44432913

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide?
The IUPAC name of 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide (CID 42326068) is 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide is COCC(=O)Nc1cc(C(=O)N2CCSCC2)cc2nc(-c3ccccc3)n(C)c12.
What is the InChIKey of 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide?
The InChIKey is GGDZOJMQHCOCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-25-20-17(23-19(27)14-29-2)12-16(22(28)26-8-10-30-11-9-26)13-18(20)24-21(25)15-6-4-3-5-7-15/h3-7,12-13H,8-11,14H2,1-2H3,(H,23,27).
What are the key properties of 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide?
2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide has a molecular weight of 424.53 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-methyl-2-phenyl-6-(thiomorpholine-4-carbonyl)benzimidazol-4-yl]acetamide is sourced from PubChem (CID 42326068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).