1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine

C86H76N26O2S — CID 159128261

IUPAC1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine
SMILESO=c1cccc[nH]1.O=c1cccc[nH]1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1
InChIInChI=1S/C9H7N.C8H6N2.3C7H6N2.C7H5NS.C6H5N3.2C5H5NO.2C5H5N.3C4H4N2.C3H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-9-6(3-1)7-5-8-9;2*7-5-3-1-2-4-6-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-6-3-4-1/h1-7H;1-6H;2*1-6H;1-5H,(H,8,9);2*1-5H;2*1-4H,(H,6,7);2*1-5H;3*1-4H;1-3H
InChIKeyKGNYULAERPNRSW-UHFFFAOYSA-N
MW1537.80 g/mol
LogP15.34
Rot. Bonds

About 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine

1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 159128261) has the molecular formula C86H76N26O2S and a molecular weight of 1537.80 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine
PubChem CID159128261
Molecular FormulaC86H76N26O2S
Molecular Weight1537.80 g/mol
Exact Mass1536.64
IUPAC Name1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine
SMILESO=c1cccc[nH]1.O=c1cccc[nH]1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1
InChIInChI=1S/C9H7N.C8H6N2.3C7H6N2.C7H5NS.C6H5N3.2C5H5NO.2C5H5N.3C4H4N2.C3H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-9-6(3-1)7-5-8-9;2*7-5-3-1-2-4-6-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-6-3-4-1/h1-7H;1-6H;2*1-6H;1-5H,(H,8,9);2*1-5H;2*1-4H,(H,6,7);2*1-5H;3*1-4H;1-3H
InChIKeyKGNYULAERPNRSW-UHFFFAOYSA-N
XLogP15.34
TPSA352.54 Ų
H-Bond Donors3
H-Bond Acceptors26
Rotatable Bonds
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.80
LogP ≤ 515.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1026

Analyze 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

2,2-dimethylpropane;ethane;methane;tetrakis(2-methylpropane);pyrazolo[1,5-a]pyridine;pyridazine;pyridine;1H-pyridin-2-one;pyrimidine
CID 167538965
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;isoquinoline;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine;2H-triazole
CID 161427477
1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;2,1,3-benzoxadiazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;2,3-dihydro-1H-indene;furan;imidazo[1,2-a]pyridine;methane;bis(piperidine);pyrazine;3H-pyrazole;pyridazine;bis(pyridine);1H-pyrrole;pyrrolidine;quinoline;bis(1,3-thiazole);thiophene
CID 161130024
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;1H-imidazole;1H-indole;naphthalene;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;3H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,2-thiazole;1,3-thiazole;thiophene;1,3,5-triazine
CID 159285764
bis(2,3,3a,4,5,6,7,7a-octahydro-1H-indene);benzene;cyclohexa-2,4-dien-1-one;cyclopenta-1,3-diene;1,4-dihydroindol-7-one;5,7-dimethylimidazo[1,2-c]pyrimidine;furo[3,2-b]pyridine;1H-imidazo[4,5-b]pyridine;6-methyl-[1,2,4]triazolo[1,5-a]pyrazine;7-methyl-[1,2,4]triazolo[4,3-c]pyrimidine;naphthalene;pyrazolo[1,5-a]pyridine;pyridine;1H-pyrrolo[3,2-b]pyridine;quinoline;thieno[3,2-b]pyridine;[1,2,4]triazolo[1,5-a]pyridine
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1H-benzimidazole;ethane;imidazo[1,2-a]pyridine;1-methyl-3H-indol-2-one
CID 142473212
1H-benzimidazole;1,2,3-benzothiadiazole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;isoquinoline;methane;1,2,4-oxadiazole;1,2,5-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyrazolo[1,5-a]pyridine;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinazoline;quinoline;quinoxaline;1,2-thiazole;1,3-thiazole;thiophene
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6-tert-butyl-1H-benzimidazole;6-tert-butyl-1,3-benzothiazole;6-tert-butylimidazo[1,2-a]pyridine;5-tert-butyl-1H-isoindole;6-tert-butyl-1-methylbenzimidazole;6-tert-butylquinazoline;6-tert-butylquinoline;7-tert-butylquinoline;6-tert-butylquinoxaline;6-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
CID 158060695
1H-benzimidazole;1-benzothiophene;furan;1H-imidazole;1H-indole;methane;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene;2H-triazole
CID 161092012
1,3-benzothiazole;icosakis(2,2-dimethylpropane);furan;1H-imidazole;1H-indole;3H-indole;indolizine;2H-isoindole;isoquinoline;1,2-oxazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;quinoline;1,3,4-thiadiazole;1,3-thiazole;thiolane;thiophene
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benzene;1H-benzimidazole;1-benzofuran;1,3-benzothiazole;1-benzothiophene;1,3-benzoxazole;cinnoline;furan;bis(1H-imidazole);1H-indazole;1H-indole;isoquinoline;(2-methylpropane);naphthalene;1,3,4-oxadiazole;bis(1,3-oxazole);pyrazine;tris(pyridine);pyrimidine;bis(1H-pyrrole);quinoline;quinoxaline;1,3,4-thiadiazole;bis(1,3-thiazole);thiophene;bis(1H-1,2,4-triazole)
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1H-benzimidazole;imidazo[1,2-a]pyridine;bis(1H-imidazole);hexadecakis(2-methylpropane);1,3-oxazole;1H-pyrrole;1,3-thiazole;1H-1,2,4-triazole
CID 163562549

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine (CID 159128261) is 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine is O=c1cccc[nH]1.O=c1cccc[nH]1.c1ccc2[nH]cnc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1cnccn1.c1cncnc1.c1cnncn1.
What is the InChIKey of 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is KGNYULAERPNRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C8H6N2.3C7H6N2.C7H5NS.C6H5N3.2C5H5NO.2C5H5N.3C4H4N2.C3H3N3/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-9-6(3-1)7-5-8-9;2*7-5-3-1-2-4-6-5;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;1-2-4-6-5-3-1;1-2-5-6-3-4-1/h1-7H;1-6H;2*1-6H;1-5H,(H,8,9);2*1-5H;2*1-4H,(H,6,7);2*1-5H;3*1-4H;1-3H.
What are the key properties of 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine?
1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1537.80 g/mol, XLogP of 15.34, 0 rotatable bonds, 3 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzothiazole;imidazo[1,2-a]pyridine;pyrazine;pyrazolo[1,5-a]pyridine;pyridazine;bis(pyridine);bis(1H-pyridin-2-one);pyrimidine;quinoline;quinoxaline;1,2,4-triazine;[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 159128261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).