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

C26H24N8OS — CID 145137154

IUPAC4-[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
SMILESCc1cc(-n2c(-c3ccc(-n4ccnc4C)cc3C)cc3sc(C4=NNNN4)cc32)ccc1C(N)=O
InChIInChI=1S/C26H24N8OS/c1-14-10-17(33-9-8-28-16(33)3)4-6-19(14)21-12-23-22(13-24(36-23)26-29-31-32-30-26)34(21)18-5-7-20(25(27)35)15(2)11-18/h4-13,31-32H,1-3H3,(H2,27,35)(H,29,30)
InChIKeyKAGBLVHTJORPFH-UHFFFAOYSA-N
MW496.60 g/mol
LogP3.84
Rot. Bonds5

About 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

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 (PubChem CID 145137154) has the molecular formula C26H24N8OS and a molecular weight of 496.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID145137154
Molecular FormulaC26H24N8OS
Molecular Weight496.60 g/mol
Exact Mass496.18
IUPAC Name4-[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
SMILESCc1cc(-n2c(-c3ccc(-n4ccnc4C)cc3C)cc3sc(C4=NNNN4)cc32)ccc1C(N)=O
InChIInChI=1S/C26H24N8OS/c1-14-10-17(33-9-8-28-16(33)3)4-6-19(14)21-12-23-22(13-24(36-23)26-29-31-32-30-26)34(21)18-5-7-20(25(27)35)15(2)11-18/h4-13,31-32H,1-3H3,(H2,27,35)(H,29,30)
InChIKeyKAGBLVHTJORPFH-UHFFFAOYSA-N
XLogP3.84
TPSA114.29 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.60
LogP ≤ 53.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

N-[(1-methylbenzimidazol-2-yl)methyl]-5-propan-2-ylthieno[2,3-c]pyrrole-2-carboxamide
CID 53191449
4-[2-Acetyl-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide
CID 122490967
4-[2-(Cyclobutanecarbonyl)-5-(2-fluoro-4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrol-4-yl]benzamide
CID 145137203
4-[(3-fluorophenyl)methyl]-N-(4-imidazol-1-ylphenyl)thieno[3,2-b]pyrrole-5-carboxamide
CID 52012867
4-[(3-fluorophenyl)methyl]-N-[3-(imidazol-1-ylmethyl)phenyl]thieno[3,2-b]pyrrole-5-carboxamide
CID 52012876
n-[3-(2,3-Dimethyl-3h-imidazol4-yl)-phenyl]-5-phenyl-thiophene-2-carboxamide
CID 23503666
3-methyl-4-[2-[5-(2-methylimidazol-1-yl)thiophen-2-yl]-5-(2H-tetrazol-5-ylmethyl)pyrrol-1-yl]benzamide
CID 46176375
4-(4-Carbamoylphenyl)-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 122454211
4-[(4-Carbamoylphenyl)methyl]-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrole-2-carboxylic acid
CID 122454247
4-[5-(4-imidazol-1-ylphenyl)-2-(2H-tetrazol-5-yl)thieno[3,2-b]pyrrol-4-yl]benzamide
CID 122454256
N-cyano-4-(4-hydroxybutyl)-5-(4-imidazol-1-yl-2-methylphenyl)thieno[3,2-b]pyrrole-2-carboxamide
CID 122454266
4-butyl-5-(4-imidazol-1-yl-2-methylphenyl)-2-(2H-tetrazol-5-yl)thieno[3,2-b]pyrrole
CID 122454270

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(-n2c(-c3ccc(-n4ccnc4C)cc3C)cc3sc(C4=NNNN4)cc32)ccc1C(N)=O.
What is the InChIKey of 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?
The InChIKey is KAGBLVHTJORPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N8OS/c1-14-10-17(33-9-8-28-16(33)3)4-6-19(14)21-12-23-22(13-24(36-23)26-29-31-32-30-26)34(21)18-5-7-20(25(27)35)15(2)11-18/h4-13,31-32H,1-3H3,(H2,27,35)(H,29,30).
What are the key properties of 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?
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 has a molecular weight of 496.60 g/mol, XLogP of 3.84, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 145137154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).