imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium

C19H18N8+2 — CID 158438415

IUPACimidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium
SMILESc1cc2[nH]cc[n+]2cn1.c1ccn2ccnc2c1.c1cnc2[nH]cc[n+]2c1
InChIInChI=1S/C7H6N2.2C6H5N3/c1-2-5-9-6-4-8-7(9)3-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1/h1-6H;2*1-5H/p+2
InChIKeyNWNKDKODQDXCFT-UHFFFAOYSA-P
MW358.41 g/mol
LogP1.63
Rot. Bonds

About imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium

imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium (PubChem CID 158438415) has the molecular formula C19H18N8+2 and a molecular weight of 358.41 g/mol. Its IUPAC name is imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium.

Molecular Properties

Compound Nameimidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium
PubChem CID158438415
Molecular FormulaC19H18N8+2
Molecular Weight358.41 g/mol
Exact Mass358.16
IUPAC Nameimidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium
SMILESc1cc2[nH]cc[n+]2cn1.c1ccn2ccnc2c1.c1cnc2[nH]cc[n+]2c1
InChIInChI=1S/C7H6N2.2C6H5N3/c1-2-5-9-6-4-8-7(9)3-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1/h1-6H;2*1-5H/p+2
InChIKeyNWNKDKODQDXCFT-UHFFFAOYSA-P
XLogP1.63
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 67154135
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2,3-dihydro-1H-pyrazolo[4,3-c]pyridine;imidazo[1,2-a]pyridine;7H-purine;1H-pyrazolo[3,4-d]pyrimidine;1H-pyrazolo[4,3-d]pyrimidine;5H-pyrrolo[3,2-d]pyrimidine
CID 159073087
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imidazo[1,2-a]pyridine;imidazo[1,2-a]pyrimidine;imidazo[2,1-b][1,3,4]thiadiazole;imidazo[2,1-b][1,3]thiazole;imidazo[1,2-c]pyrimidine
CID 19832713
N-methyl-N-phenylimidazo[1,2-a]pyridin-6-amine
CID 91458795
imidazo[1,2-a]pyrazine
CID 2771670
2-(1H-imidazol-2-yl)imidazo[1,2-a]pyridine
CID 122163818
2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine;2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine
CID 157393674

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium?
The IUPAC name of imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium (CID 158438415) is imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium.
What is the SMILES notation for imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium?
The canonical SMILES for imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium is c1cc2[nH]cc[n+]2cn1.c1ccn2ccnc2c1.c1cnc2[nH]cc[n+]2c1.
What is the InChIKey of imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium?
The InChIKey is NWNKDKODQDXCFT-UHFFFAOYSA-P. The full InChI is InChI=1S/C7H6N2.2C6H5N3/c1-2-5-9-6-4-8-7(9)3-1;1-2-7-5-9-4-3-8-6(1)9;1-2-7-6-8-3-5-9(6)4-1/h1-6H;2*1-5H/p+2.
What are the key properties of imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium?
imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium has a molecular weight of 358.41 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-a]pyridine;1H-imidazo[1,2-a]pyrimidin-4-ium;1H-imidazo[1,2-c]pyrimidin-4-ium is sourced from PubChem (CID 158438415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).