7-bromo-1-imidazolidin-1-ylisoquinoline

C12H12BrN3 — CID 174691972

IUPAC7-bromo-1-imidazolidin-1-ylisoquinoline
SMILESBrc1ccc2ccnc(N3CCNC3)c2c1
InChIInChI=1S/C12H12BrN3/c13-10-2-1-9-3-4-15-12(11(9)7-10)16-6-5-14-8-16/h1-4,7,14H,5-6,8H2
InChIKeyXLUNNVJCTONDKE-UHFFFAOYSA-N
MW278.15 g/mol
LogP2.36
Rot. Bonds1

About 7-bromo-1-imidazolidin-1-ylisoquinoline

7-bromo-1-imidazolidin-1-ylisoquinoline (PubChem CID 174691972) has the molecular formula C12H12BrN3 and a molecular weight of 278.15 g/mol. Its IUPAC name is 7-bromo-1-imidazolidin-1-ylisoquinoline.

Molecular Properties

Compound Name7-bromo-1-imidazolidin-1-ylisoquinoline
PubChem CID174691972
Molecular FormulaC12H12BrN3
Molecular Weight278.15 g/mol
Exact Mass277.02
IUPAC Name7-bromo-1-imidazolidin-1-ylisoquinoline
SMILESBrc1ccc2ccnc(N3CCNC3)c2c1
InChIInChI=1S/C12H12BrN3/c13-10-2-1-9-3-4-15-12(11(9)7-10)16-6-5-14-8-16/h1-4,7,14H,5-6,8H2
InChIKeyXLUNNVJCTONDKE-UHFFFAOYSA-N
XLogP2.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-1-imidazolidin-1-ylisoquinoline?
The IUPAC name of 7-bromo-1-imidazolidin-1-ylisoquinoline (CID 174691972) is 7-bromo-1-imidazolidin-1-ylisoquinoline.
What is the SMILES notation for 7-bromo-1-imidazolidin-1-ylisoquinoline?
The canonical SMILES for 7-bromo-1-imidazolidin-1-ylisoquinoline is Brc1ccc2ccnc(N3CCNC3)c2c1.
What is the InChIKey of 7-bromo-1-imidazolidin-1-ylisoquinoline?
The InChIKey is XLUNNVJCTONDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3/c13-10-2-1-9-3-4-15-12(11(9)7-10)16-6-5-14-8-16/h1-4,7,14H,5-6,8H2.
What are the key properties of 7-bromo-1-imidazolidin-1-ylisoquinoline?
7-bromo-1-imidazolidin-1-ylisoquinoline has a molecular weight of 278.15 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1-imidazolidin-1-ylisoquinoline is sourced from PubChem (CID 174691972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).