3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one

C18H15N3OS — CID 10471320

IUPAC3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
SMILESCc1[nH]cnc1Cn1cccc(-c2cc3ccccc3s2)c1=O
InChIInChI=1S/C18H15N3OS/c1-12-15(20-11-19-12)10-21-8-4-6-14(18(21)22)17-9-13-5-2-3-7-16(13)23-17/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyPQYDWKVHOGZUFK-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.81
Rot. Bonds3

About 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one

3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one (PubChem CID 10471320) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
PubChem CID10471320
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC Name3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
SMILESCc1[nH]cnc1Cn1cccc(-c2cc3ccccc3s2)c1=O
InChIInChI=1S/C18H15N3OS/c1-12-15(20-11-19-12)10-21-8-4-6-14(18(21)22)17-9-13-5-2-3-7-16(13)23-17/h2-9,11H,10H2,1H3,(H,19,20)
InChIKeyPQYDWKVHOGZUFK-UHFFFAOYSA-N
XLogP3.81
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one (CID 10471320) is 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one is Cc1[nH]cnc1Cn1cccc(-c2cc3ccccc3s2)c1=O.
What is the InChIKey of 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The InChIKey is PQYDWKVHOGZUFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-15(20-11-19-12)10-21-8-4-6-14(18(21)22)17-9-13-5-2-3-7-16(13)23-17/h2-9,11H,10H2,1H3,(H,19,20).
What are the key properties of 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one has a molecular weight of 321.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 10471320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).