4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one

C15H16N2O — CID 69202595

IUPAC4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCc1cn(Cc2cc(C)c3c(c2)C(=O)CC3)cn1
InChIInChI=1S/C15H16N2O/c1-10-5-12(8-17-7-11(2)16-9-17)6-14-13(10)3-4-15(14)18/h5-7,9H,3-4,8H2,1-2H3
InChIKeySHAQMBGNJMSGGF-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.68
Rot. Bonds2

About 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one

4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one (PubChem CID 69202595) has the molecular formula C15H16N2O and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one
PubChem CID69202595
Molecular FormulaC15H16N2O
Molecular Weight240.31 g/mol
Exact Mass240.13
IUPAC Name4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one
SMILESCc1cn(Cc2cc(C)c3c(c2)C(=O)CC3)cn1
InChIInChI=1S/C15H16N2O/c1-10-5-12(8-17-7-11(2)16-9-17)6-14-13(10)3-4-15(14)18/h5-7,9H,3-4,8H2,1-2H3
InChIKeySHAQMBGNJMSGGF-UHFFFAOYSA-N
XLogP2.68
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one?
The IUPAC name of 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one (CID 69202595) is 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one is Cc1cn(Cc2cc(C)c3c(c2)C(=O)CC3)cn1.
What is the InChIKey of 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one?
The InChIKey is SHAQMBGNJMSGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O/c1-10-5-12(8-17-7-11(2)16-9-17)6-14-13(10)3-4-15(14)18/h5-7,9H,3-4,8H2,1-2H3.
What are the key properties of 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one?
4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one has a molecular weight of 240.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[(4-methylimidazol-1-yl)methyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 69202595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).