3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one

C15H15N3O2 — CID 82487900

IUPAC3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one
SMILESCn1ccnc1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H15N3O2/c1-15(2)10-8-9(4-5-11(10)17-14(15)20)12(19)13-16-6-7-18(13)3/h4-8H,1-3H3,(H,17,20)
InChIKeyJTWRKYAWUQNCAX-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.88
Rot. Bonds2

About 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one

3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one (PubChem CID 82487900) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one.

Molecular Properties

Compound Name3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one
PubChem CID82487900
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one
SMILESCn1ccnc1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2
InChIInChI=1S/C15H15N3O2/c1-15(2)10-8-9(4-5-11(10)17-14(15)20)12(19)13-16-6-7-18(13)3/h4-8H,1-3H3,(H,17,20)
InChIKeyJTWRKYAWUQNCAX-UHFFFAOYSA-N
XLogP1.88
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one?
The IUPAC name of 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one (CID 82487900) is 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one.
What is the SMILES notation for 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one?
The canonical SMILES for 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one is Cn1ccnc1C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2.
What is the InChIKey of 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one?
The InChIKey is JTWRKYAWUQNCAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-15(2)10-8-9(4-5-11(10)17-14(15)20)12(19)13-16-6-7-18(13)3/h4-8H,1-3H3,(H,17,20).
What are the key properties of 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one?
3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one has a molecular weight of 269.30 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-(1-methylimidazole-2-carbonyl)-1H-indol-2-one is sourced from PubChem (CID 82487900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).