1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene

C103H98N26O5S6 — CID 159340907

IUPAC1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene
SMILESc1c[nH]cn1.c1c[nH]cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)OCO2.c1ccc2nccnc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H6N2.C8H7N.C8H6S.C7H6N2.C7H6O2.C6H4S2.2C5H5N.4C4H4N2.C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS/c1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;3*1-2-4-5-3-1;2*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/h1-6H;1-6,9H;1-6H;1-5H,(H,8,9);1-4H,5H2;1-4H;2*1-5H;4*1-4H;1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H
InChIKeyLGCYKTFUGAGHMH-UHFFFAOYSA-N
MW1972.50 g/mol
LogP25.62
Rot. Bonds

About 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene

1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene (PubChem CID 159340907) has the molecular formula C103H98N26O5S6 and a molecular weight of 1972.50 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene
PubChem CID159340907
Molecular FormulaC103H98N26O5S6
Molecular Weight1972.50 g/mol
Exact Mass1970.65
IUPAC Name1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene
SMILESc1c[nH]cn1.c1c[nH]cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)OCO2.c1ccc2nccnc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
InChIInChI=1S/C8H6N2.C8H7N.C8H6S.C7H6N2.C7H6O2.C6H4S2.2C5H5N.4C4H4N2.C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS/c1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;3*1-2-4-5-3-1;2*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/h1-6H;1-6,9H;1-6H;1-5H,(H,8,9);1-4H,5H2;1-4H;2*1-5H;4*1-4H;1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H
InChIKeyLGCYKTFUGAGHMH-UHFFFAOYSA-N
XLogP25.62
TPSA410.42 Ų
H-Bond Donors6
H-Bond Acceptors31
Rotatable Bonds
Heavy Atoms140
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001972.50
LogP ≤ 525.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1031

Analyze 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene?
The IUPAC name of 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene (CID 159340907) is 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene.
What is the SMILES notation for 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene?
The canonical SMILES for 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene is c1c[nH]cn1.c1c[nH]cn1.c1cc2sccc2s1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)OCO2.c1ccc2nccnc2c1.c1ccc2sccc2c1.c1ccncc1.c1ccncc1.c1ccoc1.c1ccsc1.c1cn[nH]c1.c1cnccn1.c1cncnc1.c1cncnc1.c1cncnc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.
What is the InChIKey of 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene?
The InChIKey is LGCYKTFUGAGHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C8H7N.C8H6S.C7H6N2.C7H6O2.C6H4S2.2C5H5N.4C4H4N2.C4H5N.C4H4O.C4H4S.3C3H4N2.2C3H3NO.2C3H3NS/c1-2-4-8-7(3-1)9-5-6-10-8;2*1-2-4-8-7(3-1)5-6-9-8;2*1-2-4-7-6(3-1)8-5-9-7;1-3-7-6-2-4-8-5(1)6;2*1-2-4-6-5-3-1;1-2-6-4-3-5-1;3*1-2-5-4-6-3-1;3*1-2-4-5-3-1;2*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/h1-6H;1-6,9H;1-6H;1-5H,(H,8,9);1-4H,5H2;1-4H;2*1-5H;4*1-4H;1-5H;2*1-4H;3*1-3H,(H,4,5);4*1-3H.
What are the key properties of 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene?
1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene has a molecular weight of 1972.50 g/mol, XLogP of 25.62, 0 rotatable bonds, 6 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzodioxole;1-benzothiophene;furan;bis(1H-imidazole);1H-indole;1,2-oxazole;1,3-oxazole;pyrazine;1H-pyrazole;bis(pyridine);tris(pyrimidine);1H-pyrrole;quinoxaline;1,2-thiazole;1,3-thiazole;thieno[3,2-b]thiophene;thiophene is sourced from PubChem (CID 159340907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).