5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one

C15H15N3O2 — CID 116880898

IUPAC5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
SMILESCC(=O)CCc1ncc(-c2ccc3c(c2)CC(=O)N3)[nH]1
InChIInChI=1S/C15H15N3O2/c1-9(19)2-5-14-16-8-13(17-14)10-3-4-12-11(6-10)7-15(20)18-12/h3-4,6,8H,2,5,7H2,1H3,(H,16,17)(H,18,20)
InChIKeyPBCAAMWRJQAJLC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.09
Rot. Bonds4

About 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one

5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one (PubChem CID 116880898) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
PubChem CID116880898
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
SMILESCC(=O)CCc1ncc(-c2ccc3c(c2)CC(=O)N3)[nH]1
InChIInChI=1S/C15H15N3O2/c1-9(19)2-5-14-16-8-13(17-14)10-3-4-12-11(6-10)7-15(20)18-12/h3-4,6,8H,2,5,7H2,1H3,(H,16,17)(H,18,20)
InChIKeyPBCAAMWRJQAJLC-UHFFFAOYSA-N
XLogP2.09
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(methylaminomethyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one
CID 82293405
4-[5-[4-[4-[2-(3-oxobutyl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pentan-2-one
CID 123956504
6-[2-(aminomethyl)-1H-imidazol-5-yl]-3,4-dihydro-1H-quinolin-2-one
CID 82293410
5-(4-oxopentyl)-1,3-dihydroindol-2-one
CID 116927752
5-[4-(hydroxymethyl)-5-methyl-1H-pyrrol-2-yl]-1,3-dihydroindol-2-one
CID 116828739
5-[2-[2-(3-hydroxyphenyl)ethyl]pyrimidin-5-yl]-1,3-dihydroindol-2-one
CID 163602287
4-[5-(2-bromophenyl)-1H-imidazol-2-yl]butan-2-one
CID 116880935
5-[5-bromo-2-(2-hydroxyethyl)-1H-imidazol-4-yl]-1,3-dihydroindol-2-one
CID 84604694
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355
5-(2-oxo-1,3-dihydroindol-5-yl)-1H-pyrazole-4-carboxylic acid
CID 82293565
3-(2-oxo-1,3-dihydroindol-5-yl)pyrazine-2-carboxylic acid
CID 82482165
5-[6-(methylaminomethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298804

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one (CID 116880898) is 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one is CC(=O)CCc1ncc(-c2ccc3c(c2)CC(=O)N3)[nH]1.
What is the InChIKey of 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one?
The InChIKey is PBCAAMWRJQAJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9(19)2-5-14-16-8-13(17-14)10-3-4-12-11(6-10)7-15(20)18-12/h3-4,6,8H,2,5,7H2,1H3,(H,16,17)(H,18,20).
What are the key properties of 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one?
5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 269.30 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-oxobutyl)-1H-imidazol-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 116880898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).