4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide

C24H18N4O3S — CID 145137268

IUPAC4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide
SMILESCc1cc(-n2ccnc2)ccc1-c1cc2sc(C=O)cc2n1-c1ccc(C(N)=O)c(O)c1
InChIInChI=1S/C24H18N4O3S/c1-14-8-15(27-7-6-26-13-27)2-4-18(14)20-11-23-21(10-17(12-29)32-23)28(20)16-3-5-19(24(25)31)22(30)9-16/h2-13,30H,1H3,(H2,25,31)
InChIKeyURXNIDPBSGJJPV-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.47
Rot. Bonds5

About 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide

4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide (PubChem CID 145137268) has the molecular formula C24H18N4O3S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide.

Molecular Properties

Compound Name4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide
PubChem CID145137268
Molecular FormulaC24H18N4O3S
Molecular Weight442.50 g/mol
Exact Mass442.11
IUPAC Name4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide
SMILESCc1cc(-n2ccnc2)ccc1-c1cc2sc(C=O)cc2n1-c1ccc(C(N)=O)c(O)c1
InChIInChI=1S/C24H18N4O3S/c1-14-8-15(27-7-6-26-13-27)2-4-18(14)20-11-23-21(10-17(12-29)32-23)28(20)16-3-5-19(24(25)31)22(30)9-16/h2-13,30H,1H3,(H2,25,31)
InChIKeyURXNIDPBSGJJPV-UHFFFAOYSA-N
XLogP4.47
TPSA103.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-imidazol-1-yl-2-methylbenzamide
CID 81276047
N-[5-(4-imidazol-1-yl-2-methylphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 176577918
4-[(4-cyanophenyl)methyl]-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 122454328
5-(4-imidazol-1-yl-2-methylphenyl)-4-[2-(4-propylphenyl)ethyl]thieno[3,2-b]pyrrole-2-carboxylic acid
CID 145137209
4-(4-carbamoyl-3-hydroxyphenyl)-5-[4-hydroxy-2-(trifluoromethyl)phenyl]thieno[3,2-b]pyrrole-2-carboxylic acid
CID 122454340
4-[2-(2,3-dihydro-1H-tetrazol-5-yl)-5-[2-methyl-4-(2-methylimidazol-1-yl)phenyl]thieno[3,2-b]pyrrol-4-yl]-2-methylbenzamide
CID 145137154
5-(4-imidazol-1-yl-2-methylphenyl)-4-[(1-methyl-6-oxo-3-pyridinyl)methyl]thieno[3,2-b]pyrrole-2-carboxylic acid
CID 122454278
4-imidazol-1-yl-2-methoxybenzamide
CID 59564308
4-[5-(2-chloro-4-hydroxyphenyl)-2-cyanothieno[3,2-b]pyrrol-4-yl]-2-methylbenzamide
CID 122490969
methyl 5-(4-imidazol-1-yl-2-methylphenyl)-4-[(Z,2E)-2-prop-2-enylidenehept-3-enyl]thieno[3,2-b]pyrrole-2-carboxylate
CID 145137234
ethyl 4-ethyl-5-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-2-carboxylate
CID 145137227
5-imidazol-1-yl-2-nitrobenzamide
CID 19709767

Frequently Asked Questions

What is the IUPAC name of 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide?
The IUPAC name of 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide (CID 145137268) is 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide.
What is the SMILES notation for 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide?
The canonical SMILES for 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide is Cc1cc(-n2ccnc2)ccc1-c1cc2sc(C=O)cc2n1-c1ccc(C(N)=O)c(O)c1.
What is the InChIKey of 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide?
The InChIKey is URXNIDPBSGJJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O3S/c1-14-8-15(27-7-6-26-13-27)2-4-18(14)20-11-23-21(10-17(12-29)32-23)28(20)16-3-5-19(24(25)31)22(30)9-16/h2-13,30H,1H3,(H2,25,31).
What are the key properties of 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide?
4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide has a molecular weight of 442.50 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-formyl-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrol-4-yl]-2-hydroxybenzamide is sourced from PubChem (CID 145137268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).