hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine

C24H26N6O4 — CID 139176954

IUPAChexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
SMILESO=C(O)CCCCC(=O)O.c1ccc(Cn2ccnc2-c2nccn2Cc2ccccn2)nc1
InChIInChI=1S/C18H16N6.C6H10O4/c1-3-7-19-15(5-1)13-23-11-9-21-17(23)18-22-10-12-24(18)14-16-6-2-4-8-20-16;7-5(8)3-1-2-4-6(9)10/h1-12H,13-14H2;1-4H2,(H,7,8)(H,9,10)
InChIKeyXMVPCRWFHILVMM-UHFFFAOYSA-N
MW462.51 g/mol
LogP3.35
Rot. Bonds10

About hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine

hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine (PubChem CID 139176954) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Namehexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
PubChem CID139176954
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Namehexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine
SMILESO=C(O)CCCCC(=O)O.c1ccc(Cn2ccnc2-c2nccn2Cc2ccccn2)nc1
InChIInChI=1S/C18H16N6.C6H10O4/c1-3-7-19-15(5-1)13-23-11-9-21-17(23)18-22-10-12-24(18)14-16-6-2-4-8-20-16;7-5(8)3-1-2-4-6(9)10/h1-12H,13-14H2;1-4H2,(H,7,8)(H,9,10)
InChIKeyXMVPCRWFHILVMM-UHFFFAOYSA-N
XLogP3.35
TPSA136.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pirmagrel
CID 55390
Imidazo[1,5-a]pyridine-5-heptanoic acid
CID 13206139
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CID 13206140
5-[2-Imidazol-1-yl-1-pyridin-2-yl-eth-(E)-ylideneaminooxy]-pentanoic acid
CID 44346027
6-(3-Methyl-imidazo[1,5-a]pyridin-5-yl)-hexanoic acid
CID 13206159
6,14,23,25-Tetraza-3,17-diazoniapentacyclo[17.3.1.13,6.18,12.114,17]hexacosa-1(23),3(26),4,8(25),9,11,15,17(24),19,21-decaene
CID 10993391
1,1'-(Suberoyldioxy)bisazabenzotriazole
CID 87354613
7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746706
1-[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 67255449
(S)-1-(2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 67256778
(2R)-1-[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]pyrrolidine-2-carboxylic acid
CID 68334543
8-[(5-Fluoro-2-pyridinyl)-(1-methylbenzimidazol-2-yl)amino]octanoic acid
CID 118363667

Frequently Asked Questions

What is the IUPAC name of hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine?
The IUPAC name of hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine (CID 139176954) is hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine.
What is the SMILES notation for hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine?
The canonical SMILES for hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine is O=C(O)CCCCC(=O)O.c1ccc(Cn2ccnc2-c2nccn2Cc2ccccn2)nc1.
What is the InChIKey of hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine?
The InChIKey is XMVPCRWFHILVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6.C6H10O4/c1-3-7-19-15(5-1)13-23-11-9-21-17(23)18-22-10-12-24(18)14-16-6-2-4-8-20-16;7-5(8)3-1-2-4-6(9)10/h1-12H,13-14H2;1-4H2,(H,7,8)(H,9,10).
What are the key properties of hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine?
hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine has a molecular weight of 462.51 g/mol, XLogP of 3.35, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for hexanedioic acid;2-[[2-[1-(pyridin-2-ylmethyl)imidazol-2-yl]imidazol-1-yl]methyl]pyridine is sourced from PubChem (CID 139176954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).