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

C26H20FN3O2S — CID 144580097

IUPAC[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
SMILESCOc1ccc(C(=O)c2ncc(-c3ccc(C)c(C)c3)[nH]2)nc1-c1csc2c(F)cccc12
InChIInChI=1S/C26H20FN3O2S/c1-14-7-8-16(11-15(14)2)21-12-28-26(30-21)24(31)20-9-10-22(32-3)23(29-20)18-13-33-25-17(18)5-4-6-19(25)27/h4-13H,1-3H3,(H,28,30)
InChIKeyPOGIAVVWDNAJBW-UHFFFAOYSA-N
MW457.53 g/mol
LogP6.35
Rot. Bonds5

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

[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone (PubChem CID 144580097) has the molecular formula C26H20FN3O2S and a molecular weight of 457.53 g/mol. Its IUPAC name is [5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone.

Molecular Properties

Compound Name[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
PubChem CID144580097
Molecular FormulaC26H20FN3O2S
Molecular Weight457.53 g/mol
Exact Mass457.13
IUPAC Name[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
SMILESCOc1ccc(C(=O)c2ncc(-c3ccc(C)c(C)c3)[nH]2)nc1-c1csc2c(F)cccc12
InChIInChI=1S/C26H20FN3O2S/c1-14-7-8-16(11-15(14)2)21-12-28-26(30-21)24(31)20-9-10-22(32-3)23(29-20)18-13-33-25-17(18)5-4-6-19(25)27/h4-13H,1-3H3,(H,28,30)
InChIKeyPOGIAVVWDNAJBW-UHFFFAOYSA-N
XLogP6.35
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-pyridin-4-yl-1H-imidazol-4-yl]-1-benzothiophene-3-carbaldehyde
CID 71524888
N-[2-[5-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-2-yl]-2-oxoethyl]-3,4-dimethoxybenzamide
CID 90061668
[4-(3,4-Dimethoxyphenyl)-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
CID 90061920
[5-(3,4-dimethoxyphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
CID 90061921
[5-[3,4-bis(hydroxymethyl)phenyl]-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
CID 118332638
[2-[3,4-Bis(hydroxymethyl)phenyl]-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
CID 123916190
[4-[3,4-Bis(hydroxymethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone
CID 140685692
4-Amino-4-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
CID 153129807
4-Amino-3-(1-benzothiophen-3-yl)-1-[8-[(2,6-difluorophenyl)methoxy]-2,6-dimethylimidazo[1,2-a]pyridin-3-yl]butan-1-one
CID 157674557
1-(3,4-dimethoxyphenyl)-4-[2-(7-fluoro-1-benzothiophen-3-yl)-1H-imidazol-5-yl]butane-1,4-dione
CID 161312940
1H-benzimidazol-2-yl-[4-[3-[3-(4-methyl-1,3-thiazol-5-yl)propyl]pyrazin-2-yl]oxyphenyl]methanone
CID 70915878
[5-[3,4-bis(hydroxymethyl)phenyl]-1H-imidazol-2-yl]-[5-methoxy-6-(7-methyl-1-benzothiophen-3-yl)-2-pyridinyl]methanone
CID 131973635

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone?
The IUPAC name of [5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone (CID 144580097) is [5-(3,4-dimethylphenyl)-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-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone?
The canonical SMILES for [5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone is COc1ccc(C(=O)c2ncc(-c3ccc(C)c(C)c3)[nH]2)nc1-c1csc2c(F)cccc12.
What is the InChIKey of [5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone?
The InChIKey is POGIAVVWDNAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O2S/c1-14-7-8-16(11-15(14)2)21-12-28-26(30-21)24(31)20-9-10-22(32-3)23(29-20)18-13-33-25-17(18)5-4-6-19(25)27/h4-13H,1-3H3,(H,28,30).
What are the key properties of [5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone?
[5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone has a molecular weight of 457.53 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethylphenyl)-1H-imidazol-2-yl]-[6-(7-fluoro-1-benzothiophen-3-yl)-5-methoxy-2-pyridinyl]methanone is sourced from PubChem (CID 144580097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).