2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine

C27H26N4 — CID 175980206

IUPAC2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine
SMILESc1ccc(C2C(c3ccccc3)N(Cc3ccccn3)CN2Cc2ccccn2)cc1
InChIInChI=1S/C27H26N4/c1-3-11-22(12-4-1)26-27(23-13-5-2-6-14-23)31(20-25-16-8-10-18-29-25)21-30(26)19-24-15-7-9-17-28-24/h1-18,26-27H,19-21H2
InChIKeyOWEOCAFGVYKGNE-UHFFFAOYSA-N
MW406.53 g/mol
LogP5.23
Rot. Bonds6

About 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine

2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine (PubChem CID 175980206) has the molecular formula C27H26N4 and a molecular weight of 406.53 g/mol. Its IUPAC name is 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine
PubChem CID175980206
Molecular FormulaC27H26N4
Molecular Weight406.53 g/mol
Exact Mass406.22
IUPAC Name2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine
SMILESc1ccc(C2C(c3ccccc3)N(Cc3ccccn3)CN2Cc2ccccn2)cc1
InChIInChI=1S/C27H26N4/c1-3-11-22(12-4-1)26-27(23-13-5-2-6-14-23)31(20-25-16-8-10-18-29-25)21-30(26)19-24-15-7-9-17-28-24/h1-18,26-27H,19-21H2
InChIKeyOWEOCAFGVYKGNE-UHFFFAOYSA-N
XLogP5.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.53
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-[1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]pyrrolidin-1-yl]methyl]pyridine;tetrahydrochloride
CID 138112738
6-phenyl-1-(pyridin-2-ylmethyl)piperazine-2,5-dione
CID 64880281
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
2-[(2-ethylazetidin-1-yl)methyl]pyridine
CID 130678024
(2R)-1-(pyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 40787079
2-pyridin-3-yl-1-(pyridin-2-ylmethyl)piperazine;hydrochloride
CID 120768365
1-(pyridin-2-ylmethyl)pyrrolidine-3,4-diol
CID 106672943
N-methyl-1-[1-(pyridin-2-ylmethyl)aziridin-2-yl]methanamine
CID 117010161
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286
1-(pyridin-2-ylmethyl)piperidine-2-carboxylic acid
CID 3310789
2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 117022412
(3aS,6aR)-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 96640188

Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine?
The IUPAC name of 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine (CID 175980206) is 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine.
What is the SMILES notation for 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine?
The canonical SMILES for 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine is c1ccc(C2C(c3ccccc3)N(Cc3ccccn3)CN2Cc2ccccn2)cc1.
What is the InChIKey of 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine?
The InChIKey is OWEOCAFGVYKGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4/c1-3-11-22(12-4-1)26-27(23-13-5-2-6-14-23)31(20-25-16-8-10-18-29-25)21-30(26)19-24-15-7-9-17-28-24/h1-18,26-27H,19-21H2.
What are the key properties of 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine?
2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine has a molecular weight of 406.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-diphenyl-3-(pyridin-2-ylmethyl)imidazolidin-1-yl]methyl]pyridine is sourced from PubChem (CID 175980206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).