1H-imidazole;isoquinoline

C12H11N3 — CID 67481109

IUPAC1H-imidazole;isoquinoline
SMILESc1c[nH]cn1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C3H4N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-3-4-1/h1-7H;1-3H,(H,4,5)
InChIKeyPARWNYVQBTXHGG-UHFFFAOYSA-N
MW197.24 g/mol
LogP2.64
Rot. Bonds

About 1H-imidazole;isoquinoline

1H-imidazole;isoquinoline (PubChem CID 67481109) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 1H-imidazole;isoquinoline.

Molecular Properties

Compound Name1H-imidazole;isoquinoline
PubChem CID67481109
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name1H-imidazole;isoquinoline
SMILESc1c[nH]cn1.c1ccc2cnccc2c1
InChIInChI=1S/C9H7N.C3H4N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-3-4-1/h1-7H;1-3H,(H,4,5)
InChIKeyPARWNYVQBTXHGG-UHFFFAOYSA-N
XLogP2.64
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazole;isoquinoline?
The IUPAC name of 1H-imidazole;isoquinoline (CID 67481109) is 1H-imidazole;isoquinoline.
What is the SMILES notation for 1H-imidazole;isoquinoline?
The canonical SMILES for 1H-imidazole;isoquinoline is c1c[nH]cn1.c1ccc2cnccc2c1.
What is the InChIKey of 1H-imidazole;isoquinoline?
The InChIKey is PARWNYVQBTXHGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C3H4N2/c1-2-4-9-7-10-6-5-8(9)3-1;1-2-5-3-4-1/h1-7H;1-3H,(H,4,5).
What are the key properties of 1H-imidazole;isoquinoline?
1H-imidazole;isoquinoline has a molecular weight of 197.24 g/mol, XLogP of 2.64, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazole;isoquinoline is sourced from PubChem (CID 67481109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).