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

C137H173N23O4S7 — CID 161130024

About 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

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 (PubChem CID 161130024) has the molecular formula C137H173N23O4S7 and a molecular weight of 2430.52 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161130024
• Molecular Formula: C137H173N23O4S7
• Molecular Weight: 2430.52 g/mol
• Exact Mass: 2428.21
• IUPAC Name: 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
• SMILES: C.C.C.C.C.C.C.C.C.C1=CN=NC1.C1CCNC1.C1CCNCC1.C1CCNCC1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCC2.c1ccc2ncccc2c1.c1ccc2nonc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnccn1.c1cscn1.c1cscn1.c1nc2c(s1)CCC2
• InChI: InChI=1S/C9H7N.C9H10.C8H6O.C8H6S.2C7H6N2.C7H5NS.C6H4N2O.C6H7NS.2C5H11N.2C5H5N.2C4H4N2.C4H9N.C4H5N.2C4H4O.2C4H4S.C3H4N2.2C3H3NS.9CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;1-2-5-6(3-1)8-4-7-5;4*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;7*1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;;;/h1-7H;1-2,4-5H,3,6-7H2;3*1-6H;1-5H,(H,8,9);1-5H;1-4H;4H,1-3H2;2*6H,1-5H2;2*1-5H;2*1-4H;5H,1-4H2;1-5H;4*1-4H;1-2H,3H2;2*1-3H;9*1H4
• InChIKey: UMBDWMQGYPXRQH-UHFFFAOYSA-N
• XLogP: 38.85
• TPSA: 342.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 32
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2430.52
LogP ≤ 5	38.85
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C.C.C.C.C.C.C.C.C.C1=CN=NC1.C1CCNC1.C1CCNCC1.C1CCNCC1.c1cc[nH]c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCC2.c1ccc2ncccc2c1.c1ccc2nonc2c1.c1ccc2occc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccn2ccnc2c1.c1ccncc1.c1ccncc1.c1ccnnc1.c1ccoc1.c1ccoc1.c1ccsc1.c1ccsc1.c1cnccn1.c1cscn1.c1cscn1.c1nc2c(s1)CCC2.

What is the InChIKey of 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?

The InChIKey is UMBDWMQGYPXRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N.C9H10.C8H6O.C8H6S.2C7H6N2.C7H5NS.C6H4N2O.C6H7NS.2C5H11N.2C5H5N.2C4H4N2.C4H9N.C4H5N.2C4H4O.2C4H4S.C3H4N2.2C3H3NS.9CH4/c1-2-6-9-8(4-1)5-3-7-10-9;1-2-5-9-7-3-6-8(9)4-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-5-9-6-4-8-7(9)3-1;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5(3-1)7-9-8-6;1-2-5-6(3-1)8-4-7-5;4*1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-4-6-5-3-1;7*1-2-4-5-3-1;2*1-2-5-3-4-1;;;;;;;;;/h1-7H;1-2,4-5H,3,6-7H2;3*1-6H;1-5H,(H,8,9);1-5H;1-4H;4H,1-3H2;2*6H,1-5H2;2*1-5H;2*1-4H;5H,1-4H2;1-5H;4*1-4H;1-2H,3H2;2*1-3H;9*1H4.

What are the key properties of 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?

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 has a molecular weight of 2430.52 g/mol, XLogP of 38.85, 0 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161130024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).