1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine

C24H26N6 — CID 22256479

IUPAC1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2cccc(CN(Cc3ccccn3)Cc3cnc[nH]3)c2)nc1
InChIInChI=1S/C24H26N6/c1-3-10-27-22(8-1)14-25-13-20-6-5-7-21(12-20)16-30(18-24-15-26-19-29-24)17-23-9-2-4-11-28-23/h1-12,15,19,25H,13-14,16-18H2,(H,26,29)
InChIKeyUEINORGHTABAFL-UHFFFAOYSA-N
MW398.51 g/mol
LogP3.69
Rot. Bonds10

About 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine

1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 22256479) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
PubChem CID22256479
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine
SMILESc1ccc(CNCc2cccc(CN(Cc3ccccn3)Cc3cnc[nH]3)c2)nc1
InChIInChI=1S/C24H26N6/c1-3-10-27-22(8-1)14-25-13-20-6-5-7-21(12-20)16-30(18-24-15-26-19-29-24)17-23-9-2-4-11-28-23/h1-12,15,19,25H,13-14,16-18H2,(H,26,29)
InChIKeyUEINORGHTABAFL-UHFFFAOYSA-N
XLogP3.69
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine with MolForge

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Related Compounds

N-[[3,5-bis[[benzyl(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 101191424
1-(3-chlorophenyl)-N-(pyridin-2-ylmethyl)methanamine
CID 4719779
6-[[(6-amino-2-pyridinyl)methyl-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]phenyl]methyl]amino]methyl]pyridin-2-amine
CID 44598597
1-[3-[[bis[(6-bromo-2-pyridinyl)methyl]amino]methyl]phenyl]-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 44598640
N-(1H-imidazol-5-ylmethyl)-N-[[4-[(pyridin-2-ylmethylamino)methyl]phenyl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine;hydrobromide
CID 69086385
N-(1H-imidazol-5-ylmethyl)-1-(3-methylphenyl)methanamine
CID 62762804
1-(3H-benzimidazol-5-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 141086275
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
N,N-dibenzyl-3-[(pyridin-2-ylmethylamino)methyl]benzenesulfonamide
CID 59826052
N-[[6-[6-[[benzyl(pyridin-2-ylmethyl)amino]methyl]-2-pyridinyl]-2-pyridinyl]methyl]-1-phenyl-N-(pyridin-2-ylmethyl)methanamine
CID 91221880
1-pyridin-2-yl-N-(pyridin-2-ylmethyl)-N-(quinolin-3-ylmethyl)methanamine
CID 3700701
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine (CID 22256479) is 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine is c1ccc(CNCc2cccc(CN(Cc3ccccn3)Cc3cnc[nH]3)c2)nc1.
What is the InChIKey of 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is UEINORGHTABAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c1-3-10-27-22(8-1)14-25-13-20-6-5-7-21(12-20)16-30(18-24-15-26-19-29-24)17-23-9-2-4-11-28-23/h1-12,15,19,25H,13-14,16-18H2,(H,26,29).
What are the key properties of 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine?
1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 398.51 g/mol, XLogP of 3.69, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[1H-imidazol-5-ylmethyl(pyridin-2-ylmethyl)amino]methyl]phenyl]-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 22256479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).