5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline

C13H15N3 — CID 10488782

IUPAC5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)C(Cn1ccnc1)CCC2
InChIInChI=1S/C13H15N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2,4,6-8,10-11H,1,3,5,9H2
InChIKeyJFGSPJCAHNGXLH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.40
Rot. Bonds2

About 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline

5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline (PubChem CID 10488782) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline
PubChem CID10488782
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline
SMILESc1cnc2c(c1)C(Cn1ccnc1)CCC2
InChIInChI=1S/C13H15N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2,4,6-8,10-11H,1,3,5,9H2
InChIKeyJFGSPJCAHNGXLH-UHFFFAOYSA-N
XLogP2.40
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline?
The IUPAC name of 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline (CID 10488782) is 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline is c1cnc2c(c1)C(Cn1ccnc1)CCC2.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline?
The InChIKey is JFGSPJCAHNGXLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-3-11(9-16-8-7-14-10-16)12-4-2-6-15-13(12)5-1/h2,4,6-8,10-11H,1,3,5,9H2.
What are the key properties of 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline?
5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline has a molecular weight of 213.28 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 10488782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).