3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C16H12BrN3OS — CID 45494763

IUPAC3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2cccs2)c2ncn(-c3ccc(Br)cc3)c2N1
InChIInChI=1S/C16H12BrN3OS/c17-10-3-5-11(6-4-10)20-9-18-15-12(13-2-1-7-22-13)8-14(21)19-16(15)20/h1-7,9,12H,8H2,(H,19,21)
InChIKeyFLXCJKRLFHWLNY-UHFFFAOYSA-N
MW374.26 g/mol
LogP4.17
Rot. Bonds2

About 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 45494763) has the molecular formula C16H12BrN3OS and a molecular weight of 374.26 g/mol. Its IUPAC name is 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID45494763
Molecular FormulaC16H12BrN3OS
Molecular Weight374.26 g/mol
Exact Mass372.99
IUPAC Name3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESO=C1CC(c2cccs2)c2ncn(-c3ccc(Br)cc3)c2N1
InChIInChI=1S/C16H12BrN3OS/c17-10-3-5-11(6-4-10)20-9-18-15-12(13-2-1-7-22-13)8-14(21)19-16(15)20/h1-7,9,12H,8H2,(H,19,21)
InChIKeyFLXCJKRLFHWLNY-UHFFFAOYSA-N
XLogP4.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 45494763) is 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is O=C1CC(c2cccs2)c2ncn(-c3ccc(Br)cc3)c2N1.
What is the InChIKey of 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is FLXCJKRLFHWLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrN3OS/c17-10-3-5-11(6-4-10)20-9-18-15-12(13-2-1-7-22-13)8-14(21)19-16(15)20/h1-7,9,12H,8H2,(H,19,21).
What are the key properties of 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 374.26 g/mol, XLogP of 4.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-7-thiophen-2-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45494763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).