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

C15H15N3OS — CID 10039581

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one
SMILESCc1ccsc1-c1cccn(Cc2nc[nH]c2C)c1=O
InChIInChI=1S/C15H15N3OS/c1-10-5-7-20-14(10)12-4-3-6-18(15(12)19)8-13-11(2)16-9-17-13/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyNNTYKMWUAOFQEO-UHFFFAOYSA-N
MW285.37 g/mol
LogP2.97
Rot. Bonds3

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

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one (PubChem CID 10039581) has the molecular formula C15H15N3OS and a molecular weight of 285.37 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one
PubChem CID10039581
Molecular FormulaC15H15N3OS
Molecular Weight285.37 g/mol
Exact Mass285.09
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one
SMILESCc1ccsc1-c1cccn(Cc2nc[nH]c2C)c1=O
InChIInChI=1S/C15H15N3OS/c1-10-5-7-20-14(10)12-4-3-6-18(15(12)19)8-13-11(2)16-9-17-13/h3-7,9H,8H2,1-2H3,(H,16,17)
InChIKeyNNTYKMWUAOFQEO-UHFFFAOYSA-N
XLogP2.97
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 52.97
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-(3-methylthiophen-2-yl)pyridin-2-one?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one (CID 10039581) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one is Cc1ccsc1-c1cccn(Cc2nc[nH]c2C)c1=O.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one?
The InChIKey is NNTYKMWUAOFQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3OS/c1-10-5-7-20-14(10)12-4-3-6-18(15(12)19)8-13-11(2)16-9-17-13/h3-7,9H,8H2,1-2H3,(H,16,17).
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-(3-methylthiophen-2-yl)pyridin-2-one has a molecular weight of 285.37 g/mol, XLogP of 2.97, 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-(3-methylthiophen-2-yl)pyridin-2-one is sourced from PubChem (CID 10039581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).