bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane

C83H112N14O9S4Si — CID 159915394

About bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane

bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane (PubChem CID 159915394) has the molecular formula C83H112N14O9S4Si and a molecular weight of 1606.25 g/mol. Its IUPAC name is bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane.

Molecular Properties

• Compound Name: bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane
• PubChem CID: 159915394
• Molecular Formula: C83H112N14O9S4Si
• Molecular Weight: 1606.25 g/mol
• Exact Mass: 1604.74
• IUPAC Name: bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane
• SMILES: CC1CC=C(O[Si](C)(C)C)CC1.CC1CCC(=O)CC1.CC1CCc2nc(N)sc2C1.CC1CCc2nc(Nc3nc4cc(C(=O)CCCOCCO)ccc4n3C)sc2C1.CC1CCc2nc(Nc3nc4ccccc4n3C)sc2C1.CCc1ccc2c(c1)nc(Nc1nc3c(s1)CC(C)CC3)n2C.O=C=O.O=C=O
• InChI: InChI=1S/C22H28N4O3S.C18H22N4S.C16H18N4S.C10H20OSi.C8H12N2S.C7H12O.2CO2/c1-14-5-7-16-20(12-14)30-22(24-16)25-21-23-17-13-15(6-8-18(17)26(21)2)19(28)4-3-10-29-11-9-27;1-4-12-6-8-15-14(10-12)19-17(22(15)3)21-18-20-13-7-5-11(2)9-16(13)23-18;1-10-7-8-12-14(9-10)21-16(18-12)19-15-17-11-5-3-4-6-13(11)20(15)2;1-9-5-7-10(8-6-9)11-12(2,3)4;1-5-2-3-6-7(4-5)11-8(9)10-6;1-6-2-4-7(8)5-3-6;2*2-1-3/h6,8,13-14,27H,3-5,7,9-12H2,1-2H3,(H,23,24,25);6,8,10-11H,4-5,7,9H2,1-3H3,(H,19,20,21);3-6,10H,7-9H2,1-2H3,(H,17,18,19);7,9H,5-6,8H2,1-4H3;5H,2-4H2,1H3,(H2,9,10);6H,2-5H2,1H3
• InChIKey: NXSGMYNFKCJIPK-UHFFFAOYSA-N
• XLogP: 18.22
• TPSA: 308.24 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 16
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1606.25
LogP ≤ 5	18.22
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane?

The IUPAC name of bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane (CID 159915394) is bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane.

What is the SMILES notation for bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane?

The canonical SMILES for bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane is CC1CC=C(O[Si](C)(C)C)CC1.CC1CCC(=O)CC1.CC1CCc2nc(N)sc2C1.CC1CCc2nc(Nc3nc4cc(C(=O)CCCOCCO)ccc4n3C)sc2C1.CC1CCc2nc(Nc3nc4ccccc4n3C)sc2C1.CCc1ccc2c(c1)nc(Nc1nc3c(s1)CC(C)CC3)n2C.O=C=O.O=C=O.

What is the InChIKey of bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane?

The InChIKey is NXSGMYNFKCJIPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O3S.C18H22N4S.C16H18N4S.C10H20OSi.C8H12N2S.C7H12O.2CO2/c1-14-5-7-16-20(12-14)30-22(24-16)25-21-23-17-13-15(6-8-18(17)26(21)2)19(28)4-3-10-29-11-9-27;1-4-12-6-8-15-14(10-12)19-17(22(15)3)21-18-20-13-7-5-11(2)9-16(13)23-18;1-10-7-8-12-14(9-10)21-16(18-12)19-15-17-11-5-3-4-6-13(11)20(15)2;1-9-5-7-10(8-6-9)11-12(2,3)4;1-5-2-3-6-7(4-5)11-8(9)10-6;1-6-2-4-7(8)5-3-6;2*2-1-3/h6,8,13-14,27H,3-5,7,9-12H2,1-2H3,(H,23,24,25);6,8,10-11H,4-5,7,9H2,1-3H3,(H,19,20,21);3-6,10H,7-9H2,1-2H3,(H,17,18,19);7,9H,5-6,8H2,1-4H3;5H,2-4H2,1H3,(H2,9,10);6H,2-5H2,1H3;;.

What are the key properties of bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane?

bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane has a molecular weight of 1606.25 g/mol, XLogP of 18.22, 16 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for bis(carbon dioxide);N-(5-ethyl-1-methylbenzimidazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;4-(2-hydroxyethoxy)-1-[1-methyl-2-[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)amino]benzimidazol-5-yl]butan-1-one;4-methylcyclohexan-1-one;6-methyl-N-(1-methylbenzimidazol-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine;trimethyl-(4-methylcyclohexen-1-yl)oxysilane is sourced from PubChem (CID 159915394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).