3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C21H20ClN3O4 — CID 45493620

IUPAC3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cc(OC)c(C2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C21H20ClN3O4/c1-27-16-10-18(29-3)17(28-2)8-14(16)15-9-19(26)24-21-20(15)23-11-25(21)13-6-4-5-12(22)7-13/h4-8,10-11,15H,9H2,1-3H3,(H,24,26)
InChIKeyNLNBQOCQPWZIFV-UHFFFAOYSA-N
MW413.86 g/mol
LogP4.03
Rot. Bonds5

About 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 45493620) has the molecular formula C21H20ClN3O4 and a molecular weight of 413.86 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID45493620
Molecular FormulaC21H20ClN3O4
Molecular Weight413.86 g/mol
Exact Mass413.11
IUPAC Name3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCOc1cc(OC)c(C2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1OC
InChIInChI=1S/C21H20ClN3O4/c1-27-16-10-18(29-3)17(28-2)8-14(16)15-9-19(26)24-21-20(15)23-11-25(21)13-6-4-5-12(22)7-13/h4-8,10-11,15H,9H2,1-3H3,(H,24,26)
InChIKeyNLNBQOCQPWZIFV-UHFFFAOYSA-N
XLogP4.03
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.86
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 45493620) is 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is COc1cc(OC)c(C2CC(=O)Nc3c2ncn3-c2cccc(Cl)c2)cc1OC.
What is the InChIKey of 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is NLNBQOCQPWZIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4/c1-27-16-10-18(29-3)17(28-2)8-14(16)15-9-19(26)24-21-20(15)23-11-25(21)13-6-4-5-12(22)7-13/h4-8,10-11,15H,9H2,1-3H3,(H,24,26).
What are the key properties of 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 413.86 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-7-(2,4,5-trimethoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 45493620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).