2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine

C21H28N4O — CID 129315682

IUPAC2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine
SMILESCc1nc(-c2cc(C3=CCCN(CC4CCOCC4)C3)ccn2)[nH]c1C
InChIInChI=1S/C21H28N4O/c1-15-16(2)24-21(23-15)20-12-18(5-8-22-20)19-4-3-9-25(14-19)13-17-6-10-26-11-7-17/h4-5,8,12,17H,3,6-7,9-11,13-14H2,1-2H3,(H,23,24)
InChIKeyYMUXYROYOHECRE-UHFFFAOYSA-N
MW352.48 g/mol
LogP3.60
Rot. Bonds4

About 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine

2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine (PubChem CID 129315682) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine.

Molecular Properties

Compound Name2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine
PubChem CID129315682
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC Name2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine
SMILESCc1nc(-c2cc(C3=CCCN(CC4CCOCC4)C3)ccn2)[nH]c1C
InChIInChI=1S/C21H28N4O/c1-15-16(2)24-21(23-15)20-12-18(5-8-22-20)19-4-3-9-25(14-19)13-17-6-10-26-11-7-17/h4-5,8,12,17H,3,6-7,9-11,13-14H2,1-2H3,(H,23,24)
InChIKeyYMUXYROYOHECRE-UHFFFAOYSA-N
XLogP3.60
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine?
The IUPAC name of 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine (CID 129315682) is 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine.
What is the SMILES notation for 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine?
The canonical SMILES for 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine is Cc1nc(-c2cc(C3=CCCN(CC4CCOCC4)C3)ccn2)[nH]c1C.
What is the InChIKey of 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine?
The InChIKey is YMUXYROYOHECRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-15-16(2)24-21(23-15)20-12-18(5-8-22-20)19-4-3-9-25(14-19)13-17-6-10-26-11-7-17/h4-5,8,12,17H,3,6-7,9-11,13-14H2,1-2H3,(H,23,24).
What are the key properties of 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine?
2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine has a molecular weight of 352.48 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-1H-imidazol-2-yl)-4-[1-(oxan-4-ylmethyl)-3,6-dihydro-2H-pyridin-5-yl]pyridine is sourced from PubChem (CID 129315682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).