N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine

C20H24N6O — CID 129315638

IUPACN-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine
SMILESCNCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H24N6O/c1-14-19(13-21-2)25-20(24-14)18-10-15(3-4-23-18)16-9-17(12-22-11-16)26-5-7-27-8-6-26/h3-4,9-12,21H,5-8,13H2,1-2H3,(H,24,25)
InChIKeyYUYBQLYSNIOEKO-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.40
Rot. Bonds5

About N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine

N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine (PubChem CID 129315638) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine
PubChem CID129315638
Molecular FormulaC20H24N6O
Molecular Weight364.45 g/mol
Exact Mass364.20
IUPAC NameN-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine
SMILESCNCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C
InChIInChI=1S/C20H24N6O/c1-14-19(13-21-2)25-20(24-14)18-10-15(3-4-23-18)16-9-17(12-22-11-16)26-5-7-27-8-6-26/h3-4,9-12,21H,5-8,13H2,1-2H3,(H,24,25)
InChIKeyYUYBQLYSNIOEKO-UHFFFAOYSA-N
XLogP2.40
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine?
The IUPAC name of N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine (CID 129315638) is N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine is CNCc1nc(-c2cc(-c3cncc(N4CCOCC4)c3)ccn2)[nH]c1C.
What is the InChIKey of N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine?
The InChIKey is YUYBQLYSNIOEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c1-14-19(13-21-2)25-20(24-14)18-10-15(3-4-23-18)16-9-17(12-22-11-16)26-5-7-27-8-6-26/h3-4,9-12,21H,5-8,13H2,1-2H3,(H,24,25).
What are the key properties of N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine?
N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine has a molecular weight of 364.45 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-methyl-2-[4-(5-morpholin-4-yl-3-pyridinyl)-2-pyridinyl]-1H-imidazol-4-yl]methanamine is sourced from PubChem (CID 129315638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).