1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea

C16H19N5O4 — CID 138491541

IUPAC1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N5O4/c1-3-17-15(24)18-9-4-5-10-12(8-9)20(2)16(25)21(10)11-6-7-13(22)19-14(11)23/h4-5,8,11H,3,6-7H2,1-2H3,(H2,17,18,24)(H,19,22,23)
InChIKeyKQRSSPBVVDZHIA-UHFFFAOYSA-N
MW345.36 g/mol
LogP0.46
Rot. Bonds3

About 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea

1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea (PubChem CID 138491541) has the molecular formula C16H19N5O4 and a molecular weight of 345.36 g/mol. Its IUPAC name is 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea
PubChem CID138491541
Molecular FormulaC16H19N5O4
Molecular Weight345.36 g/mol
Exact Mass345.14
IUPAC Name1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea
SMILESCCNC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H19N5O4/c1-3-17-15(24)18-9-4-5-10-12(8-9)20(2)16(25)21(10)11-6-7-13(22)19-14(11)23/h4-5,8,11H,3,6-7H2,1-2H3,(H2,17,18,24)(H,19,22,23)
InChIKeyKQRSSPBVVDZHIA-UHFFFAOYSA-N
XLogP0.46
TPSA114.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea?
The IUPAC name of 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea (CID 138491541) is 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea is CCNC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea?
The InChIKey is KQRSSPBVVDZHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O4/c1-3-17-15(24)18-9-4-5-10-12(8-9)20(2)16(25)21(10)11-6-7-13(22)19-14(11)23/h4-5,8,11H,3,6-7H2,1-2H3,(H2,17,18,24)(H,19,22,23).
What are the key properties of 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea?
1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea has a molecular weight of 345.36 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]-3-ethylurea is sourced from PubChem (CID 138491541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).