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

C14H12BrN3OS — CID 10337922

IUPAC3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
SMILESCc1[nH]cnc1Cn1cccc(-c2ccc(Br)s2)c1=O
InChIInChI=1S/C14H12BrN3OS/c1-9-11(17-8-16-9)7-18-6-2-3-10(14(18)19)12-4-5-13(15)20-12/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyHPDOQRSKGUWLRA-UHFFFAOYSA-N
MW350.24 g/mol
LogP3.42
Rot. Bonds3

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

3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one (PubChem CID 10337922) has the molecular formula C14H12BrN3OS and a molecular weight of 350.24 g/mol. Its IUPAC name is 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one.

Molecular Properties

Compound Name3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
PubChem CID10337922
Molecular FormulaC14H12BrN3OS
Molecular Weight350.24 g/mol
Exact Mass348.99
IUPAC Name3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one
SMILESCc1[nH]cnc1Cn1cccc(-c2ccc(Br)s2)c1=O
InChIInChI=1S/C14H12BrN3OS/c1-9-11(17-8-16-9)7-18-6-2-3-10(14(18)19)12-4-5-13(15)20-12/h2-6,8H,7H2,1H3,(H,16,17)
InChIKeyHPDOQRSKGUWLRA-UHFFFAOYSA-N
XLogP3.42
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.24
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The IUPAC name of 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one (CID 10337922) is 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one.
What is the SMILES notation for 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The canonical SMILES for 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one is Cc1[nH]cnc1Cn1cccc(-c2ccc(Br)s2)c1=O.
What is the InChIKey of 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
The InChIKey is HPDOQRSKGUWLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3OS/c1-9-11(17-8-16-9)7-18-6-2-3-10(14(18)19)12-4-5-13(15)20-12/h2-6,8H,7H2,1H3,(H,16,17).
What are the key properties of 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one?
3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one has a molecular weight of 350.24 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromothiophen-2-yl)-1-[(5-methyl-1H-imidazol-4-yl)methyl]pyridin-2-one is sourced from PubChem (CID 10337922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).