5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide

C22H21N3O3S — CID 143036606

IUPAC5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide
SMILESCc1ccccc1COc1cc(-n2cnc3ccccc32)sc1C(=O)NC(C)O
InChIInChI=1S/C22H21N3O3S/c1-14-7-3-4-8-16(14)12-28-19-11-20(29-21(19)22(27)24-15(2)26)25-13-23-17-9-5-6-10-18(17)25/h3-11,13,15,26H,12H2,1-2H3,(H,24,27)
InChIKeyVLJWORNFHYBWNE-UHFFFAOYSA-N
MW407.50 g/mol
LogP4.04
Rot. Bonds6

About 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide

5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide (PubChem CID 143036606) has the molecular formula C22H21N3O3S and a molecular weight of 407.50 g/mol. Its IUPAC name is 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide
PubChem CID143036606
Molecular FormulaC22H21N3O3S
Molecular Weight407.50 g/mol
Exact Mass407.13
IUPAC Name5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide
SMILESCc1ccccc1COc1cc(-n2cnc3ccccc32)sc1C(=O)NC(C)O
InChIInChI=1S/C22H21N3O3S/c1-14-7-3-4-8-16(14)12-28-19-11-20(29-21(19)22(27)24-15(2)26)25-13-23-17-9-5-6-10-18(17)25/h3-11,13,15,26H,12H2,1-2H3,(H,24,27)
InChIKeyVLJWORNFHYBWNE-UHFFFAOYSA-N
XLogP4.04
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-(5,6-dimethylbenzimidazol-1-yl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxylate
CID 57431293
methyl 5-(5-fluorobenzimidazol-1-yl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxylate
CID 59855187
5-(benzimidazol-1-yl)-N-benzyl-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide;5-(benzimidazol-1-yl)-N-(2-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide;5-(benzimidazol-1-yl)-3-[(2-methylphenyl)methoxy]-N-phenylthiophene-2-carboxamide;5-(benzimidazol-1-yl)-3-[(2-methylphenyl)methoxy]-N-propan-2-ylthiophene-2-carboxamide;5-(benzimidazol-1-yl)-3-[(3-methylphenyl)methoxy]thiophene-2-carboxamide;5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carboxamide
CID 158962577
5-(benzimidazol-1-yl)-3-[(2-chlorophenyl)methoxy]thiophene-2-carboxamide
CID 25263080
5-(benzimidazol-1-yl)-3-phenylmethoxythiophene-2-carboxamide
CID 25263074
5-methyl-3-[(2-methylphenyl)methoxy]-N-methylsulfonylthiophene-2-carboxamide
CID 143036633
1-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide;3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-[2-(dimethylamino)ethyl]benzimidazole-5-carboxamide
CID 44528399
methyl 5-[6-(2,2-dimethylpropanoyloxymethyl)benzimidazol-1-yl]-3-[(1R)-1-(2-methylphenyl)ethoxy]thiophene-2-carboxylate
CID 143424705
5-bromo-1-[4-[(2-methylphenyl)methoxy]thiophen-2-yl]benzimidazole
CID 141085656
N-[4-(benzimidazol-1-yl)phenyl]-2-(2-methylphenyl)acetamide
CID 41491570
3-[5-carbamoyl-4-[[2-(trifluoromethyl)phenyl]methoxy]thiophen-2-yl]-N-(2-morpholin-4-ylethyl)benzimidazole-5-carboxamide;formic acid
CID 44528506
5-(6-chlorobenzimidazol-1-yl)-3-[(2,4-difluorophenyl)methoxy]thiophene-2-carboxylic acid
CID 57431332

Frequently Asked Questions

What is the IUPAC name of 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide?
The IUPAC name of 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide (CID 143036606) is 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide.
What is the SMILES notation for 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide?
The canonical SMILES for 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide is Cc1ccccc1COc1cc(-n2cnc3ccccc32)sc1C(=O)NC(C)O.
What is the InChIKey of 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide?
The InChIKey is VLJWORNFHYBWNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3S/c1-14-7-3-4-8-16(14)12-28-19-11-20(29-21(19)22(27)24-15(2)26)25-13-23-17-9-5-6-10-18(17)25/h3-11,13,15,26H,12H2,1-2H3,(H,24,27).
What are the key properties of 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide?
5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 4.04, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzimidazol-1-yl)-N-(1-hydroxyethyl)-3-[(2-methylphenyl)methoxy]thiophene-2-carboxamide is sourced from PubChem (CID 143036606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).