1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

C12H21N3 — CID 70983540

IUPAC1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESC1=NCCN1C1NCCC2CCCCC21
InChIInChI=1S/C12H21N3/c1-2-4-11-10(3-1)5-6-14-12(11)15-8-7-13-9-15/h9-12,14H,1-8H2
InChIKeyTXLOXDQXMASVTM-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.46
Rot. Bonds1

About 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline

1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (PubChem CID 70983540) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
PubChem CID70983540
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline
SMILESC1=NCCN1C1NCCC2CCCCC21
InChIInChI=1S/C12H21N3/c1-2-4-11-10(3-1)5-6-14-12(11)15-8-7-13-9-15/h9-12,14H,1-8H2
InChIKeyTXLOXDQXMASVTM-UHFFFAOYSA-N
XLogP1.46
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The IUPAC name of 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline (CID 70983540) is 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is C1=NCCN1C1NCCC2CCCCC21.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
The InChIKey is TXLOXDQXMASVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-2-4-11-10(3-1)5-6-14-12(11)15-8-7-13-9-15/h9-12,14H,1-8H2.
What are the key properties of 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline?
1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline has a molecular weight of 207.32 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-yl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline is sourced from PubChem (CID 70983540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).