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

C14H14ClN3OS — CID 3072541

IUPAC1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride
SMILESCc1[nH]cnc1Cn1cccc(-c2cccs2)c1=O.Cl
InChIInChI=1S/C14H13N3OS.ClH/c1-10-12(16-9-15-10)8-17-6-2-4-11(14(17)18)13-5-3-7-19-13;/h2-7,9H,8H2,1H3,(H,15,16);1H
InChIKeyXBRNVNVZXOQKFA-UHFFFAOYSA-N
MW307.81 g/mol
LogP3.08
Rot. Bonds3

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

1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride (PubChem CID 3072541) has the molecular formula C14H14ClN3OS and a molecular weight of 307.81 g/mol. Its IUPAC name is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride.

Molecular Properties

Compound Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride
PubChem CID3072541
Molecular FormulaC14H14ClN3OS
Molecular Weight307.81 g/mol
Exact Mass307.05
IUPAC Name1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride
SMILESCc1[nH]cnc1Cn1cccc(-c2cccs2)c1=O.Cl
InChIInChI=1S/C14H13N3OS.ClH/c1-10-12(16-9-15-10)8-17-6-2-4-11(14(17)18)13-5-3-7-19-13;/h2-7,9H,8H2,1H3,(H,15,16);1H
InChIKeyXBRNVNVZXOQKFA-UHFFFAOYSA-N
XLogP3.08
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.81
LogP ≤ 53.08
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-2-ylpyridin-2-one;hydrochloride?
The IUPAC name of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride (CID 3072541) is 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride.
What is the SMILES notation for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride?
The canonical SMILES for 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride is Cc1[nH]cnc1Cn1cccc(-c2cccs2)c1=O.Cl.
What is the InChIKey of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride?
The InChIKey is XBRNVNVZXOQKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS.ClH/c1-10-12(16-9-15-10)8-17-6-2-4-11(14(17)18)13-5-3-7-19-13;/h2-7,9H,8H2,1H3,(H,15,16);1H.
What are the key properties of 1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride?
1-[(5-methyl-1H-imidazol-4-yl)methyl]-3-thiophen-2-ylpyridin-2-one;hydrochloride has a molecular weight of 307.81 g/mol, XLogP of 3.08, 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-2-ylpyridin-2-one;hydrochloride is sourced from PubChem (CID 3072541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).