2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one

C16H15N3OS — CID 15026238

IUPAC2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one
SMILESCc1[nH]cnc1Cn1ccc2c(c1=O)-c1ccsc1CC2
InChIInChI=1S/C16H15N3OS/c1-10-13(18-9-17-10)8-19-6-4-11-2-3-14-12(5-7-21-14)15(11)16(19)20/h4-7,9H,2-3,8H2,1H3,(H,17,18)
InChIKeyCZRSRHHMZSFSEL-UHFFFAOYSA-N
MW297.38 g/mol
LogP2.76
Rot. Bonds2

About 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one

2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one (PubChem CID 15026238) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one.

Molecular Properties

Compound Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one
PubChem CID15026238
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC Name2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one
SMILESCc1[nH]cnc1Cn1ccc2c(c1=O)-c1ccsc1CC2
InChIInChI=1S/C16H15N3OS/c1-10-13(18-9-17-10)8-19-6-4-11-2-3-14-12(5-7-21-14)15(11)16(19)20/h4-7,9H,2-3,8H2,1H3,(H,17,18)
InChIKeyCZRSRHHMZSFSEL-UHFFFAOYSA-N
XLogP2.76
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one?
The IUPAC name of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one (CID 15026238) is 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one.
What is the SMILES notation for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one?
The canonical SMILES for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one is Cc1[nH]cnc1Cn1ccc2c(c1=O)-c1ccsc1CC2.
What is the InChIKey of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one?
The InChIKey is CZRSRHHMZSFSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c1-10-13(18-9-17-10)8-19-6-4-11-2-3-14-12(5-7-21-14)15(11)16(19)20/h4-7,9H,2-3,8H2,1H3,(H,17,18).
What are the key properties of 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one?
2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one has a molecular weight of 297.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-imidazol-4-yl)methyl]-5,6-dihydrothieno[2,3-h]isoquinolin-1-one is sourced from PubChem (CID 15026238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).