4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one

C20H16Cl2N4O — CID 156786790

IUPAC4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Cl)c2C1N1CCc2nc(-c3ccccc3Cl)[nH]c2C1
InChIInChI=1S/C20H16Cl2N4O/c21-12-5-2-1-4-11(12)19-23-14-8-9-26(10-16(14)24-19)18-17-13(22)6-3-7-15(17)25-20(18)27/h1-7,18H,8-10H2,(H,23,24)(H,25,27)
InChIKeyGPOIXSUCJORUSJ-UHFFFAOYSA-N
MW399.28 g/mol
LogP4.43
Rot. Bonds2

About 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one

4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 156786790) has the molecular formula C20H16Cl2N4O and a molecular weight of 399.28 g/mol. Its IUPAC name is 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one
PubChem CID156786790
Molecular FormulaC20H16Cl2N4O
Molecular Weight399.28 g/mol
Exact Mass398.07
IUPAC Name4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one
SMILESO=C1Nc2cccc(Cl)c2C1N1CCc2nc(-c3ccccc3Cl)[nH]c2C1
InChIInChI=1S/C20H16Cl2N4O/c21-12-5-2-1-4-11(12)19-23-14-8-9-26(10-16(14)24-19)18-17-13(22)6-3-7-15(17)25-20(18)27/h1-7,18H,8-10H2,(H,23,24)(H,25,27)
InChIKeyGPOIXSUCJORUSJ-UHFFFAOYSA-N
XLogP4.43
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.28
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one (CID 156786790) is 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one is O=C1Nc2cccc(Cl)c2C1N1CCc2nc(-c3ccccc3Cl)[nH]c2C1.
What is the InChIKey of 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is GPOIXSUCJORUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N4O/c21-12-5-2-1-4-11(12)19-23-14-8-9-26(10-16(14)24-19)18-17-13(22)6-3-7-15(17)25-20(18)27/h1-7,18H,8-10H2,(H,23,24)(H,25,27).
What are the key properties of 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one?
4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 399.28 g/mol, XLogP of 4.43, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[2-(2-chlorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 156786790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).