1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)

C204H175N65O12S12 — CID 157087421

IUPAC1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)
SMILESc1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnoc2cn1.c1cc2cnsc2cn1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2occc2cn1.c1cc2sncc2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.5C7H6N2.4C7H5NO.3C7H5NS.C6H5N3.2C6H4N2O.3C6H4N2S.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/c3*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;1-2-7-3-5-4-8-9-6(1)5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;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;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-6,9H;2*1-6H;3*1-5,9H;2*1-5H,(H,8,9);7*1-5H;1-4H,(H,7,8,9);5*1-4H;1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5)
InChIKeyAEGGWLPPGCEINM-UHFFFAOYSA-N
MW4113.89 g/mol
LogP49.03
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)

1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole) (PubChem CID 157087421) has the molecular formula C204H175N65O12S12 and a molecular weight of 4113.89 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole).

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)
PubChem CID157087421
Molecular FormulaC204H175N65O12S12
Molecular Weight4113.89 g/mol
Exact Mass4110.17
IUPAC Name1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)
SMILESc1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnoc2cn1.c1cc2cnsc2cn1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2occc2cn1.c1cc2sncc2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1
InChIInChI=1S/C8H7N.C8H6O.C8H6S.5C7H6N2.4C7H5NO.3C7H5NS.C6H5N3.2C6H4N2O.3C6H4N2S.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/c3*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;1-2-7-3-5-4-8-9-6(1)5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;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;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-6,9H;2*1-6H;3*1-5,9H;2*1-5H,(H,8,9);7*1-5H;1-4H,(H,7,8,9);5*1-4H;1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5)
InChIKeyAEGGWLPPGCEINM-UHFFFAOYSA-N
XLogP49.03
TPSA1033.23 Ų
H-Bond Donors13
H-Bond Acceptors76
Rotatable Bonds
Heavy Atoms293
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004113.89
LogP ≤ 549.03
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1076

Analyze 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole) (CID 157087421) is 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole).
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole) is c1c[nH]cn1.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnoc2cn1.c1cc2cnsc2cn1.c1cc2ncoc2cn1.c1cc2ncsc2cn1.c1cc2occc2cn1.c1cc2sncc2cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnccn1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.c1nc[nH]n1.c1nc[nH]n1.c1ncon1.c1ncsn1.c1nn[nH]n1.c1nnco1.c1nncs1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)?
The InChIKey is AEGGWLPPGCEINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6O.C8H6S.5C7H6N2.4C7H5NO.3C7H5NS.C6H5N3.2C6H4N2O.3C6H4N2S.C5H5N.3C4H4N2.C4H5N.C4H4O.C4H4S.2C3H4N2.2C3H3NO.2C3H3NS.2C2H3N3.2C2H2N2O.2C2H2N2S.CH2N4/c3*1-2-4-8-7(3-1)5-6-9-8;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-2-6-7(8-4-1)3-5-9-6;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-7-6(1)2-4-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-2-5-6(7-3-1)9-4-8-5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;1-2-7-3-5-4-8-9-6(1)5;1-2-7-3-6-5(1)8-4-9-6;1-2-7-4-6-5(1)3-8-9-6;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;3*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;2*1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-2-4-5-3-1/h1-6,9H;2*1-6H;3*1-5,9H;2*1-5H,(H,8,9);7*1-5H;1-4H,(H,7,8,9);5*1-4H;1-5H;3*1-4H;1-5H;2*1-4H;2*1-3H,(H,4,5);4*1-3H;2*1-2H,(H,3,4,5);4*1-2H;1H,(H,2,3,4,5).
What are the key properties of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole)?
1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole) has a molecular weight of 4113.89 g/mol, XLogP of 49.03, 0 rotatable bonds, 13 hydrogen bond donors, and 76 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;furan;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1H-imidazo[4,5-b]pyridine;1H-imidazole;1H-indazole;1H-indole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,2-oxazole;1,3-oxazole;[1,2]oxazolo[5,4-c]pyridine;[1,3]oxazolo[5,4-c]pyridine;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;2H-tetrazole;1,2,4-thiadiazole;1,3,4-thiadiazole;1,2-thiazole;1,3-thiazole;[1,2]thiazolo[4,5-c]pyridine;[1,2]thiazolo[5,4-c]pyridine;[1,3]thiazolo[5,4-c]pyridine;thieno[2,3-c]pyridine;thiophene;bis(1H-1,2,4-triazole) is sourced from PubChem (CID 157087421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).