4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine

C18H16N6 — CID 122395602

IUPAC4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
SMILESc1cc(Cn2ccnc2-c2nccn2Cc2ccncc2)ccn1
InChIInChI=1S/C18H16N6/c1-5-19-6-2-15(1)13-23-11-9-21-17(23)18-22-10-12-24(18)14-16-3-7-20-8-4-16/h1-12H,13-14H2
InChIKeyQNQWYFDWEZWEDO-UHFFFAOYSA-N
MW316.37 g/mol
LogP2.63
Rot. Bonds5

About 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine

4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 122395602) has the molecular formula C18H16N6 and a molecular weight of 316.37 g/mol. Its IUPAC name is 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
PubChem CID122395602
Molecular FormulaC18H16N6
Molecular Weight316.37 g/mol
Exact Mass316.14
IUPAC Name4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
SMILESc1cc(Cn2ccnc2-c2nccn2Cc2ccncc2)ccn1
InChIInChI=1S/C18H16N6/c1-5-19-6-2-15(1)13-23-11-9-21-17(23)18-22-10-12-24(18)14-16-3-7-20-8-4-16/h1-12H,13-14H2
InChIKeyQNQWYFDWEZWEDO-UHFFFAOYSA-N
XLogP2.63
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(2-phenylimidazol-1-yl)methyl]pyridine
CID 67150298
octanedioic acid;4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
CID 139176949
[4-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558961
8-[1-(pyridin-4-ylmethyl)imidazol-2-yl]quinoline
CID 56741436
4-[(2-ethylimidazol-1-yl)methyl]pyridine
CID 63810514
2-[1-[[4-[(2-pyridin-2-ylimidazol-1-yl)methyl]phenyl]methyl]imidazol-2-yl]pyridine;dihydrate
CID 139073564
[3-[(2-pyridin-4-ylimidazol-1-yl)methyl]phenyl]methanamine
CID 82558960
2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]sulfanylethanamine
CID 94686227
[4-[[2-(pyridin-4-ylmethyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82557868
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
CID 115648480
1-[(4-chlorophenyl)methyl]-2-phenylimidazole
CID 3042995
1-[1-(pyridin-4-ylmethyl)imidazol-2-yl]butan-2-amine
CID 63097057

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine (CID 122395602) is 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine is c1cc(Cn2ccnc2-c2nccn2Cc2ccncc2)ccn1.
What is the InChIKey of 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is QNQWYFDWEZWEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6/c1-5-19-6-2-15(1)13-23-11-9-21-17(23)18-22-10-12-24(18)14-16-3-7-20-8-4-16/h1-12H,13-14H2.
What are the key properties of 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine?
4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 316.37 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[1-(pyridin-4-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 122395602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).