5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one

C18H21Cl2N3O4 — CID 166705266

IUPAC5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one
SMILESO=C(C(CO)CC1(C2CC2)NC(O)NC1=O)N1Cc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C18H21Cl2N3O4/c19-13-3-9-6-23(7-10(9)4-14(13)20)15(25)11(8-24)5-18(12-1-2-12)16(26)21-17(27)22-18/h3-4,11-12,17,22,24,27H,1-2,5-8H2,(H,21,26)
InChIKeyNWTSUXHKFCKZEI-UHFFFAOYSA-N
MW414.29 g/mol
LogP0.98
Rot. Bonds5

About 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one

5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one (PubChem CID 166705266) has the molecular formula C18H21Cl2N3O4 and a molecular weight of 414.29 g/mol. Its IUPAC name is 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one.

Molecular Properties

Compound Name5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one
PubChem CID166705266
Molecular FormulaC18H21Cl2N3O4
Molecular Weight414.29 g/mol
Exact Mass413.09
IUPAC Name5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one
SMILESO=C(C(CO)CC1(C2CC2)NC(O)NC1=O)N1Cc2cc(Cl)c(Cl)cc2C1
InChIInChI=1S/C18H21Cl2N3O4/c19-13-3-9-6-23(7-10(9)4-14(13)20)15(25)11(8-24)5-18(12-1-2-12)16(26)21-17(27)22-18/h3-4,11-12,17,22,24,27H,1-2,5-8H2,(H,21,26)
InChIKeyNWTSUXHKFCKZEI-UHFFFAOYSA-N
XLogP0.98
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.29
LogP ≤ 50.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one?
The IUPAC name of 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one (CID 166705266) is 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one.
What is the SMILES notation for 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one?
The canonical SMILES for 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one is O=C(C(CO)CC1(C2CC2)NC(O)NC1=O)N1Cc2cc(Cl)c(Cl)cc2C1.
What is the InChIKey of 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one?
The InChIKey is NWTSUXHKFCKZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2N3O4/c19-13-3-9-6-23(7-10(9)4-14(13)20)15(25)11(8-24)5-18(12-1-2-12)16(26)21-17(27)22-18/h3-4,11-12,17,22,24,27H,1-2,5-8H2,(H,21,26).
What are the key properties of 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one?
5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one has a molecular weight of 414.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-5-[3-(5,6-dichloro-1,3-dihydroisoindol-2-yl)-2-(hydroxymethyl)-3-oxopropyl]-2-hydroxyimidazolidin-4-one is sourced from PubChem (CID 166705266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).