5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol

C17H16N4O3S — CID 123616598

IUPAC5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol
SMILESCOc1cc(OC)cc(-n2cc(O)c(-c3nc4cscc4[nH]3)c2N)c1
InChIInChI=1S/C17H16N4O3S/c1-23-10-3-9(4-11(5-10)24-2)21-6-14(22)15(16(21)18)17-19-12-7-25-8-13(12)20-17/h3-8,22H,18H2,1-2H3,(H,19,20)
InChIKeyUTNGJJUCZJTETA-UHFFFAOYSA-N
MW356.41 g/mol
LogP3.39
Rot. Bonds4

About 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol

5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol (PubChem CID 123616598) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol.

Molecular Properties

Compound Name5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol
PubChem CID123616598
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol
SMILESCOc1cc(OC)cc(-n2cc(O)c(-c3nc4cscc4[nH]3)c2N)c1
InChIInChI=1S/C17H16N4O3S/c1-23-10-3-9(4-11(5-10)24-2)21-6-14(22)15(16(21)18)17-19-12-7-25-8-13(12)20-17/h3-8,22H,18H2,1-2H3,(H,19,20)
InChIKeyUTNGJJUCZJTETA-UHFFFAOYSA-N
XLogP3.39
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-4-(1H-benzimidazol-2-yl)-1-(4,6-dimethoxy-2-pyridinyl)pyrrol-3-ol
CID 123423759
5-amino-4-(1H-benzimidazol-2-yl)-1-(2-tert-butyl-5-methoxyphenyl)pyrrol-3-ol
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5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-(methoxymethyl)pyrrol-3-ol
CID 123393361
5-amino-1-(2,5-dimethoxyphenyl)-4-(4-methyl-1H-benzimidazol-2-yl)pyrrol-3-ol
CID 123541462
methyl 5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrole-2-carboxylate
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5-amino-4-(1H-benzimidazol-2-yl)-1-(2-phenoxyphenyl)pyrrol-3-ol
CID 123724514
5-amino-4-(1H-benzimidazol-2-yl)-1-(1H-pyrazol-5-yl)pyrrol-3-ol
CID 123333781
N-[2-[5-amino-4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-3-hydroxypyrrol-2-yl]ethyl]benzamide
CID 123940523
5-amino-4-(1,3-benzothiazol-2-yl)-1-(3,5-dimethylphenyl)pyrrol-3-ol
CID 122170230
4-(1H-benzimidazol-2-yl)-1-(3,5-dimethoxyphenyl)-2-ethyl-5-(methylamino)pyrrol-3-ol
CID 123675902
3-amino-2-[3-[[2-[3-amino-2-(3,5-dimethylphenyl)-5-oxo-1H-pyrazol-4-yl]-3H-benzimidazol-5-yl]methoxy]-5-methoxyphenyl]-4-(1H-benzimidazol-2-yl)-1H-pyrazol-5-one
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2-(1H-benzimidazol-2-yl)-4-methoxyphenol
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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol?
The IUPAC name of 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol (CID 123616598) is 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol.
What is the SMILES notation for 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol?
The canonical SMILES for 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol is COc1cc(OC)cc(-n2cc(O)c(-c3nc4cscc4[nH]3)c2N)c1.
What is the InChIKey of 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol?
The InChIKey is UTNGJJUCZJTETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-23-10-3-9(4-11(5-10)24-2)21-6-14(22)15(16(21)18)17-19-12-7-25-8-13(12)20-17/h3-8,22H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol?
5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol has a molecular weight of 356.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(3,5-dimethoxyphenyl)-4-(1H-thieno[3,4-d]imidazol-2-yl)pyrrol-3-ol is sourced from PubChem (CID 123616598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).