1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione

C15H14ClN3O2 — CID 61356226

IUPAC1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ncc(Cl)n1C
InChIInChI=1S/C15H14ClN3O2/c1-8-4-9(2)13-10(5-8)14(20)15(21)19(13)7-12-17-6-11(16)18(12)3/h4-6H,7H2,1-3H3
InChIKeyFZFHINVGFHJGGE-UHFFFAOYSA-N
MW303.75 g/mol
LogP2.42
Rot. Bonds2

About 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione

1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione (PubChem CID 61356226) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione.

Molecular Properties

Compound Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione
PubChem CID61356226
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC Name1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione
SMILESCc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ncc(Cl)n1C
InChIInChI=1S/C15H14ClN3O2/c1-8-4-9(2)13-10(5-8)14(20)15(21)19(13)7-12-17-6-11(16)18(12)3/h4-6H,7H2,1-3H3
InChIKeyFZFHINVGFHJGGE-UHFFFAOYSA-N
XLogP2.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione?
The IUPAC name of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione (CID 61356226) is 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione.
What is the SMILES notation for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione?
The canonical SMILES for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione is Cc1cc(C)c2c(c1)C(=O)C(=O)N2Cc1ncc(Cl)n1C.
What is the InChIKey of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione?
The InChIKey is FZFHINVGFHJGGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-8-4-9(2)13-10(5-8)14(20)15(21)19(13)7-12-17-6-11(16)18(12)3/h4-6H,7H2,1-3H3.
What are the key properties of 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione?
1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione has a molecular weight of 303.75 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-1-methylimidazol-2-yl)methyl]-5,7-dimethylindole-2,3-dione is sourced from PubChem (CID 61356226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).