1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine

C215H341N45O9S4 — CID 159330709

About 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine

1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine (PubChem CID 159330709) has the molecular formula C215H341N45O9S4 and a molecular weight of 3828.67 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine.

Molecular Properties

• Compound Name: 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
• PubChem CID: 159330709
• Molecular Formula: C215H341N45O9S4
• Molecular Weight: 3828.67 g/mol
• Exact Mass: 3825.65
• IUPAC Name: 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cccc2c1ncn2C(C)C.CC(C)c1ncncn1.CC(C)n1cnc2ccccc21.COc1ccc2c(nc(C)n2C(C)C)c1C(C)C.Cc1ccc2c(nc(C)n2C(C)C)c1C(C)C.Cc1nc2c(C(C)C)cccc2n1C(C)C.Cn1cnnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCO2.c1ccc2nonc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cocn1.c1cscn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1
• InChI: InChI=1S/C15H22N2O.C15H22N2.C14H20N2.C13H18N2.C10H12N2.C8H7N.C8H8O.C7H6N2.C7H5NS.C7H6O2.C6H9N3.C6H4N2O.C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.3C4H10.C3H5N3.C3H3N3.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.C2H2N2S.20C2H6.CH2N4/c1-9(2)14-13(18-6)8-7-12-15(14)16-11(5)17(12)10(3)4;1-9(2)14-11(5)7-8-13-15(14)16-12(6)17(13)10(3)4;1-9(2)12-7-6-8-13-14(12)15-11(5)16(13)10(3)4;1-9(2)11-6-5-7-12-13(11)14-8-15(12)10(3)4;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-5(2)6-8-3-7-4-9-6;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;3*1-4(2)3;1-6-2-4-5-3-6;1-2-5-6-3-4-1;3*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;20*1-2;1-2-4-5-3-1/h7-10H,1-6H3;7-10H,1-6H3;6-10H,1-5H3;5-10H,1-4H3;3-8H,1-2H3;1-6,9H;1-4H,5-6H2;1-5H,(H,8,9);1-5H;1-4H,5H2;3-5H,1-2H3;1-4H;1-5H;2*1-4H;1-5H;2*1-4H;3*4H,1-3H3;2-3H,1H3;1-3H;1-3H,(H,4,5);2*1-3H;3*1-2H;20*1-2H3;1H,(H,2,3,4,5)
• InChIKey: LEYAVHFJVHHBFZ-UHFFFAOYSA-N
• XLogP: 63.48
• TPSA: 649.41 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 53
• Rotatable Bonds: 11
• Heavy Atoms: 273
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3828.67
LogP ≤ 5	63.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	53

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine?

The IUPAC name of 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine (CID 159330709) is 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine.

What is the SMILES notation for 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine?

The canonical SMILES for 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cccc2c1ncn2C(C)C.CC(C)c1ncncn1.CC(C)n1cnc2ccccc21.COc1ccc2c(nc(C)n2C(C)C)c1C(C)C.Cc1ccc2c(nc(C)n2C(C)C)c1C(C)C.Cc1nc2c(C(C)C)cccc2n1C(C)C.Cn1cnnc1.c1c[nH]cn1.c1cc[nH]c1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2c(c1)CCO2.c1ccc2c(c1)OCO2.c1ccc2nonc2c1.c1ccc2scnc2c1.c1ccncc1.c1ccoc1.c1ccsc1.c1cnccn1.c1cncnc1.c1cnncn1.c1cocn1.c1cscn1.c1ncon1.c1nn[nH]n1.c1nnco1.c1nncs1.

What is the InChIKey of 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine?

The InChIKey is LEYAVHFJVHHBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.C15H22N2.C14H20N2.C13H18N2.C10H12N2.C8H7N.C8H8O.C7H6N2.C7H5NS.C7H6O2.C6H9N3.C6H4N2O.C5H5N.2C4H4N2.C4H5N.C4H4O.C4H4S.3C4H10.C3H5N3.C3H3N3.C3H4N2.C3H3NO.C3H3NS.2C2H2N2O.C2H2N2S.20C2H6.CH2N4/c1-9(2)14-13(18-6)8-7-12-15(14)16-11(5)17(12)10(3)4;1-9(2)14-11(5)7-8-13-15(14)16-12(6)17(13)10(3)4;1-9(2)12-7-6-8-13-14(12)15-11(5)16(13)10(3)4;1-9(2)11-6-5-7-12-13(11)14-8-15(12)10(3)4;1-8(2)12-7-11-9-5-3-4-6-10(9)12;2*1-2-4-8-7(3-1)5-6-9-8;3*1-2-4-7-6(3-1)8-5-9-7;1-5(2)6-8-3-7-4-9-6;1-2-4-6-5(3-1)7-9-8-6;1-2-4-6-5-3-1;1-2-6-4-3-5-1;1-2-5-4-6-3-1;3*1-2-4-5-3-1;3*1-4(2)3;1-6-2-4-5-3-6;1-2-5-6-3-4-1;3*1-2-5-3-4-1;1-3-4-2-5-1;1-3-2-5-4-1;1-3-4-2-5-1;20*1-2;1-2-4-5-3-1/h7-10H,1-6H3;7-10H,1-6H3;6-10H,1-5H3;5-10H,1-4H3;3-8H,1-2H3;1-6,9H;1-4H,5-6H2;1-5H,(H,8,9);1-5H;1-4H,5H2;3-5H,1-2H3;1-4H;1-5H;2*1-4H;1-5H;2*1-4H;3*4H,1-3H3;2-3H,1H3;1-3H;1-3H,(H,4,5);2*1-3H;3*1-2H;20*1-2H3;1H,(H,2,3,4,5).

What are the key properties of 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine?

1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine has a molecular weight of 3828.67 g/mol, XLogP of 63.48, 11 rotatable bonds, 5 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;1,3-benzodioxole;1,3-benzothiazole;2,1,3-benzoxadiazole;2,3-dihydro-1-benzofuran;2,5-dimethyl-1,4-di(propan-2-yl)benzimidazole;1,4-di(propan-2-yl)benzimidazole;ethane;furan;1H-imidazole;1H-indole;5-methoxy-2-methyl-1,4-di(propan-2-yl)benzimidazole;2-methyl-1,4-di(propan-2-yl)benzimidazole;tris(2-methylpropane);4-methyl-1,2,4-triazole;1,2,4-oxadiazole;1,3,4-oxadiazole;1,3-oxazole;1-propan-2-ylbenzimidazole;2-propan-2-yl-1,3,5-triazine;pyrazine;pyridine;pyrimidine;1H-pyrrole;2H-tetrazole;1,3,4-thiadiazole;1,3-thiazole;thiophene;1,2,4-triazine is sourced from PubChem (CID 159330709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).