2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate

C24H24N6O2 — CID 139073564

IUPAC2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
SMILESO.O.c1ccc(-c2nccn2Cc2ccc(Cn3ccnc3-c3ccccn3)cc2)nc1
InChIInChI=1S/C24H20N6.2H2O/c1-3-11-25-21(5-1)23-27-13-15-29(23)17-19-7-9-20(10-8-19)18-30-16-14-28-24(30)22-6-2-4-12-26-22;;/h1-16H,17-18H2;2*1H2
InChIKeyBFMHSUUJJFQNGV-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.65
Rot. Bonds6

About 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate

2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate (PubChem CID 139073564) has the molecular formula C24H24N6O2 and a molecular weight of 428.50 g/mol. Its IUPAC name is 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate.

Molecular Properties

Compound Name2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
PubChem CID139073564
Molecular FormulaC24H24N6O2
Molecular Weight428.50 g/mol
Exact Mass428.20
IUPAC Name2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
SMILESO.O.c1ccc(-c2nccn2Cc2ccc(Cn3ccnc3-c3ccccn3)cc2)nc1
InChIInChI=1S/C24H20N6.2H2O/c1-3-11-25-21(5-1)23-27-13-15-29(23)17-19-7-9-20(10-8-19)18-30-16-14-28-24(30)22-6-2-4-12-26-22;;/h1-16H,17-18H2;2*1H2
InChIKeyBFMHSUUJJFQNGV-UHFFFAOYSA-N
XLogP2.65
TPSA124.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate?
The IUPAC name of 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate (CID 139073564) is 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate.
What is the SMILES notation for 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate?
The canonical SMILES for 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate is O.O.c1ccc(-c2nccn2Cc2ccc(Cn3ccnc3-c3ccccn3)cc2)nc1.
What is the InChIKey of 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate?
The InChIKey is BFMHSUUJJFQNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6.2H2O/c1-3-11-25-21(5-1)23-27-13-15-29(23)17-19-7-9-20(10-8-19)18-30-16-14-28-24(30)22-6-2-4-12-26-22;;/h1-16H,17-18H2;2*1H2.
What are the key properties of 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate?
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate has a molecular weight of 428.50 g/mol, XLogP of 2.65, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate is sourced from PubChem (CID 139073564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).