6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one

C14H15N3O — CID 67124991

IUPAC6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one
SMILESCCc1nc(-c2ccc3c(c2)C(=O)NC3)c(C)[nH]1
InChIInChI=1S/C14H15N3O/c1-3-12-16-8(2)13(17-12)9-4-5-10-7-15-14(18)11(10)6-9/h4-6H,3,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOPRANLLOIGMAIP-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.19
Rot. Bonds2

About 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one

6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one (PubChem CID 67124991) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one
PubChem CID67124991
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one
SMILESCCc1nc(-c2ccc3c(c2)C(=O)NC3)c(C)[nH]1
InChIInChI=1S/C14H15N3O/c1-3-12-16-8(2)13(17-12)9-4-5-10-7-15-14(18)11(10)6-9/h4-6H,3,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyOPRANLLOIGMAIP-UHFFFAOYSA-N
XLogP2.19
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one (CID 67124991) is 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one is CCc1nc(-c2ccc3c(c2)C(=O)NC3)c(C)[nH]1.
What is the InChIKey of 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one?
The InChIKey is OPRANLLOIGMAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-3-12-16-8(2)13(17-12)9-4-5-10-7-15-14(18)11(10)6-9/h4-6H,3,7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one?
6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one has a molecular weight of 241.29 g/mol, XLogP of 2.19, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 67124991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).