1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C141H255N15O3S3 — CID 157417060

About 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 157417060) has the molecular formula C141H255N15O3S3 and a molecular weight of 2304.89 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• PubChem CID: 157417060
• Molecular Formula: C141H255N15O3S3
• Molecular Weight: 2304.89 g/mol
• Exact Mass: 2302.94
• IUPAC Name: 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c([nH]1)CCC2.c1cc2c(o1)CCC2.c1cc2c(s1)CCC2.c1cc2n(c1)CCCC2.c1cc2n(n1)CCC2.c1cc2n(n1)CCCC2.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)CCC2
• InChI: InChI=1S/C8H11N.C8H7N.C7H10N2.C7H6N2.C7H5NO.C7H5NS.C7H9N.C7H8O.C7H8S.2C6H8N2.C6H7NO.C6H7NS.26C2H6/c2*1-2-6-9-7-3-5-8(9)4-1;1-2-6-9-7(3-1)4-5-8-9;3*1-2-4-7-6(3-1)8-5-9-7;3*1-2-6-4-5-8-7(6)3-1;1-2-6-3-4-7-8(6)5-1;3*1-2-5-6(3-1)8-4-7-5;26*1-2/h3,5,7H,1-2,4,6H2;1-7H;4-5H,1-3,6H2;1-5H,(H,8,9);2*1-5H;4-5,8H,1-3H2;2*4-5H,1-3H2;3-4H,1-2,5H2;4H,1-3H2,(H,7,8);2*4H,1-3H2;26*1-2H3
• InChIKey: BOZAKOFGXPABKH-UHFFFAOYSA-N
• XLogP: 47.38
• TPSA: 209.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2304.89
LogP ≤ 5	47.38
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The IUPAC name of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 157417060) is 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

What is the SMILES notation for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The canonical SMILES for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.c1cc2c([nH]1)CCC2.c1cc2c(o1)CCC2.c1cc2c(s1)CCC2.c1cc2n(c1)CCCC2.c1cc2n(n1)CCC2.c1cc2n(n1)CCCC2.c1ccc2[nH]cnc2c1.c1ccc2ocnc2c1.c1ccc2scnc2c1.c1ccn2cccc2c1.c1nc2c([nH]1)CCC2.c1nc2c(o1)CCC2.c1nc2c(s1)CCC2.

What is the InChIKey of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

The InChIKey is BOZAKOFGXPABKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C8H7N.C7H10N2.C7H6N2.C7H5NO.C7H5NS.C7H9N.C7H8O.C7H8S.2C6H8N2.C6H7NO.C6H7NS.26C2H6/c2*1-2-6-9-7-3-5-8(9)4-1;1-2-6-9-7(3-1)4-5-8-9;3*1-2-4-7-6(3-1)8-5-9-7;3*1-2-6-4-5-8-7(6)3-1;1-2-6-3-4-7-8(6)5-1;3*1-2-5-6(3-1)8-4-7-5;26*1-2/h3,5,7H,1-2,4,6H2;1-7H;4-5H,1-3,6H2;1-5H,(H,8,9);2*1-5H;4-5,8H,1-3H2;2*4-5H,1-3H2;3-4H,1-2,5H2;4H,1-3H2,(H,7,8);2*4H,1-3H2;26*1-2H3.

What are the key properties of 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?

1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 2304.89 g/mol, XLogP of 47.38, 0 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;5,6-dihydro-4H-cyclopenta[b]furan;5,6-dihydro-4H-cyclopenta[b]thiophene;5,6-dihydro-4H-cyclopenta[d][1,3]oxazole;5,6-dihydro-4H-cyclopenta[d][1,3]thiazole;5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole;ethane;indolizine;1,4,5,6-tetrahydrocyclopenta[b]pyrrole;1,4,5,6-tetrahydrocyclopenta[d]imidazole;5,6,7,8-tetrahydroindolizine;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 157417060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).