7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline

C13H17N3 — CID 142035491

IUPAC7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline
SMILESC1=NCC(CC2CCc3ccncc3C2)N1
InChIInChI=1S/C13H17N3/c1-2-11-3-4-14-7-12(11)5-10(1)6-13-8-15-9-16-13/h3-4,7,9-10,13H,1-2,5-6,8H2,(H,15,16)
InChIKeyCBSDHRLBNNRWJC-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.58
Rot. Bonds2

About 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline

7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline (PubChem CID 142035491) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

Compound Name7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline
PubChem CID142035491
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline
SMILESC1=NCC(CC2CCc3ccncc3C2)N1
InChIInChI=1S/C13H17N3/c1-2-11-3-4-14-7-12(11)5-10(1)6-13-8-15-9-16-13/h3-4,7,9-10,13H,1-2,5-6,8H2,(H,15,16)
InChIKeyCBSDHRLBNNRWJC-UHFFFAOYSA-N
XLogP1.58
TPSA37.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline?
The IUPAC name of 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline (CID 142035491) is 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline.
What is the SMILES notation for 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline?
The canonical SMILES for 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline is C1=NCC(CC2CCc3ccncc3C2)N1.
What is the InChIKey of 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline?
The InChIKey is CBSDHRLBNNRWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-2-11-3-4-14-7-12(11)5-10(1)6-13-8-15-9-16-13/h3-4,7,9-10,13H,1-2,5-6,8H2,(H,15,16).
What are the key properties of 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline?
7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 215.30 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4,5-dihydro-1H-imidazol-5-ylmethyl)-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 142035491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).