3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline

C12H11N3 — CID 3410883

IUPAC3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline
SMILESc1ccc2cc(C3=NCCN3)ncc2c1
InChIInChI=1S/C12H11N3/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyZXRSVNHYTSSFMN-UHFFFAOYSA-N
MW197.24 g/mol
LogP1.58
Rot. Bonds1

About 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline

3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline (PubChem CID 3410883) has the molecular formula C12H11N3 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline.

Molecular Properties

Compound Name3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline
PubChem CID3410883
Molecular FormulaC12H11N3
Molecular Weight197.24 g/mol
Exact Mass197.10
IUPAC Name3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline
SMILESc1ccc2cc(C3=NCCN3)ncc2c1
InChIInChI=1S/C12H11N3/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12/h1-4,7-8H,5-6H2,(H,13,14)
InChIKeyZXRSVNHYTSSFMN-UHFFFAOYSA-N
XLogP1.58
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline?
The IUPAC name of 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline (CID 3410883) is 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline.
What is the SMILES notation for 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline?
The canonical SMILES for 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline is c1ccc2cc(C3=NCCN3)ncc2c1.
What is the InChIKey of 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline?
The InChIKey is ZXRSVNHYTSSFMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3/c1-2-4-10-8-15-11(7-9(10)3-1)12-13-5-6-14-12/h1-4,7-8H,5-6H2,(H,13,14).
What are the key properties of 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline?
3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline has a molecular weight of 197.24 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1H-imidazol-2-yl)isoquinoline is sourced from PubChem (CID 3410883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).