2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

C22H26N4 — CID 59337807

IUPAC2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc2c(-c3ncc(CN4CCN5CCCCC5C4)[nH]3)cccc2c1
InChIInChI=1S/C22H26N4/c1-2-9-20-17(6-1)7-5-10-21(20)22-23-14-18(24-22)15-25-12-13-26-11-4-3-8-19(26)16-25/h1-2,5-7,9-10,14,19H,3-4,8,11-13,15-16H2,(H,23,24)
InChIKeyMHKJZVDEBIBYCX-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.90
Rot. Bonds3

About 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine

2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (PubChem CID 59337807) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.

Molecular Properties

Compound Name2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
PubChem CID59337807
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
SMILESc1ccc2c(-c3ncc(CN4CCN5CCCCC5C4)[nH]3)cccc2c1
InChIInChI=1S/C22H26N4/c1-2-9-20-17(6-1)7-5-10-21(20)22-23-14-18(24-22)15-25-12-13-26-11-4-3-8-19(26)16-25/h1-2,5-7,9-10,14,19H,3-4,8,11-13,15-16H2,(H,23,24)
InChIKeyMHKJZVDEBIBYCX-UHFFFAOYSA-N
XLogP3.90
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The IUPAC name of 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine (CID 59337807) is 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine.
What is the SMILES notation for 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The canonical SMILES for 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is c1ccc2c(-c3ncc(CN4CCN5CCCCC5C4)[nH]3)cccc2c1.
What is the InChIKey of 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
The InChIKey is MHKJZVDEBIBYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-2-9-20-17(6-1)7-5-10-21(20)22-23-14-18(24-22)15-25-12-13-26-11-4-3-8-19(26)16-25/h1-2,5-7,9-10,14,19H,3-4,8,11-13,15-16H2,(H,23,24).
What are the key properties of 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine?
2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine has a molecular weight of 346.48 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-naphthalen-1-yl-1H-imidazol-5-yl)methyl]-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine is sourced from PubChem (CID 59337807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).