[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone

C26H20FN3O4S — CID 90061921

IUPAC[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
SMILESCOc1ccc(-c2cnc(C(=O)c3ccc(OC)c(-c4csc5c(F)cccc45)n3)[nH]2)cc1OC
InChIInChI=1S/C26H20FN3O4S/c1-32-20-9-7-14(11-22(20)34-3)19-12-28-26(30-19)24(31)18-8-10-21(33-2)23(29-18)16-13-35-25-15(16)5-4-6-17(25)27/h4-13H,1-3H3,(H,28,30)
InChIKeyCKAMPNCUSVLEAF-UHFFFAOYSA-N
MW489.53 g/mol
LogP5.75
Rot. Bonds7

About [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone

[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone (PubChem CID 90061921) has the molecular formula C26H20FN3O4S and a molecular weight of 489.53 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
PubChem CID90061921
Molecular FormulaC26H20FN3O4S
Molecular Weight489.53 g/mol
Exact Mass489.12
IUPAC Name[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
SMILESCOc1ccc(-c2cnc(C(=O)c3ccc(OC)c(-c4csc5c(F)cccc45)n3)[nH]2)cc1OC
InChIInChI=1S/C26H20FN3O4S/c1-32-20-9-7-14(11-22(20)34-3)19-12-28-26(30-19)24(31)18-8-10-21(33-2)23(29-18)16-13-35-25-15(16)5-4-6-17(25)27/h4-13H,1-3H3,(H,28,30)
InChIKeyCKAMPNCUSVLEAF-UHFFFAOYSA-N
XLogP5.75
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.53
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone (CID 90061921) is [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone is COc1ccc(-c2cnc(C(=O)c3ccc(OC)c(-c4csc5c(F)cccc45)n3)[nH]2)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone?
The InChIKey is CKAMPNCUSVLEAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O4S/c1-32-20-9-7-14(11-22(20)34-3)19-12-28-26(30-19)24(31)18-8-10-21(33-2)23(29-18)16-13-35-25-15(16)5-4-6-17(25)27/h4-13H,1-3H3,(H,28,30).
What are the key properties of [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone?
[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone has a molecular weight of 489.53 g/mol, XLogP of 5.75, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone is sourced from PubChem (CID 90061921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).