1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one

C14H13N3OS — CID 10423327

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one
SMILESCc1[nH]cnc1Cn1cccc(-c2ccsc2)c1=O
InChIInChI=1S/C14H13N3OS/c1-10-13(16-9-15-10)7-17-5-2-3-12(14(17)18)11-4-6-19-8-11/h2-6,8-9H,7H2,1H3,(H,15,16)
InChIKeyKCBNIJBUCHNLEY-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.66
Rot. Bonds3

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

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one (PubChem CID 10423327) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one
PubChem CID10423327
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one
SMILESCc1[nH]cnc1Cn1cccc(-c2ccsc2)c1=O
InChIInChI=1S/C14H13N3OS/c1-10-13(16-9-15-10)7-17-5-2-3-12(14(17)18)11-4-6-19-8-11/h2-6,8-9H,7H2,1H3,(H,15,16)
InChIKeyKCBNIJBUCHNLEY-UHFFFAOYSA-N
XLogP2.66
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one (CID 10423327) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one is Cc1[nH]cnc1Cn1cccc(-c2ccsc2)c1=O.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one?
The InChIKey is KCBNIJBUCHNLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-13(16-9-15-10)7-17-5-2-3-12(14(17)18)11-4-6-19-8-11/h2-6,8-9H,7H2,1H3,(H,15,16).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one has a molecular weight of 271.35 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-3-ylpyridin-2-one is sourced from PubChem (CID 10423327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).