(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

C19H17N3O4 — CID 1288349

IUPAC(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](n3c(CO)nc4ccccc43)C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-26-13-8-6-12(7-9-13)21-18(24)10-16(19(21)25)22-15-5-3-2-4-14(15)20-17(22)11-23/h2-9,16,23H,10-11H2,1H3/t16-/m1/s1
InChIKeyGXPLJJYCIPOLPW-MRXNPFEDSA-N
MW351.36 g/mol
LogP2.04
Rot. Bonds4

About (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione

(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (PubChem CID 1288349) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
PubChem CID1288349
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
SMILESCOc1ccc(N2C(=O)C[C@@H](n3c(CO)nc4ccccc43)C2=O)cc1
InChIInChI=1S/C19H17N3O4/c1-26-13-8-6-12(7-9-13)21-18(24)10-16(19(21)25)22-15-5-3-2-4-14(15)20-17(22)11-23/h2-9,16,23H,10-11H2,1H3/t16-/m1/s1
InChIKeyGXPLJJYCIPOLPW-MRXNPFEDSA-N
XLogP2.04
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51577611
1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 134120909
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 2806877
(3S)-1-(4-methoxyphenyl)-3-(4-phenylpiperidin-1-yl)pyrrolidine-2,5-dione
CID 7358060
1-(4-methoxyphenyl)-3-morpholin-4-ylpyrrolidine-2,5-dione
CID 2732615
4-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazine-1-carboxylic acid
CID 21148227
3-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)-1-(4-phenoxyphenyl)pyrrolidine-2,5-dione
CID 43841356
(3S)-1-(4-methoxyphenyl)-3-[4-(2-phenoxyethyl)piperazin-1-yl]pyrrolidine-2,5-dione
CID 98345869
(3R)-3-[4-(4-benzoylphenyl)piperazin-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 41242699
3-(4-benzhydrylpiperazin-1-yl)-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 2849630
3-(4-methoxyphenyl)sulfanyl-1-phenylpyrrolidine-2,5-dione
CID 12689585

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione (CID 1288349) is (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is COc1ccc(N2C(=O)C[C@@H](n3c(CO)nc4ccccc43)C2=O)cc1.
What is the InChIKey of (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
The InChIKey is GXPLJJYCIPOLPW-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-26-13-8-6-12(7-9-13)21-18(24)10-16(19(21)25)22-15-5-3-2-4-14(15)20-17(22)11-23/h2-9,16,23H,10-11H2,1H3/t16-/m1/s1.
What are the key properties of (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione?
(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione has a molecular weight of 351.36 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 1288349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).