N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)

C151H198N22O6S5 — CID 157482020

About N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)

N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) (PubChem CID 157482020) has the molecular formula C151H198N22O6S5 and a molecular weight of 2577.73 g/mol. Its IUPAC name is N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole).

Molecular Properties

• Compound Name: N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)
• PubChem CID: 157482020
• Molecular Formula: C151H198N22O6S5
• Molecular Weight: 2577.73 g/mol
• Exact Mass: 2575.45
• IUPAC Name: N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)
• SMILES: CC(=O)CSc1nc2ccccc2n1C(C)C.CC(=O)c1ccc2c(c1)ncn2C(C)C.CC(C)n1c(SCCN2CCOCC2)nc2ccccc21.CCC(C)NC(=O)c1ccc(C(C)C)c2ccccc12.CCCCNC(=O)c1cc(C(C)C)c2ccccc2c1.CCCNC(=O)c1ccc2c(c1)ncn2C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCc1nc2ccccc2n1C(C)C.CSc1nc2ccccc2n1C(C)C.Cc1nc2ccccc2n1C(C)C
• InChI: InChI=1S/2C18H23NO.C16H23N3OS.C14H19N3O.C13H16N2OS.2C13H18N2S.C12H14N2O.C12H16N2.C11H14N2S.C11H14N2/c1-5-13(4)19-18(20)17-11-10-14(12(2)3)15-8-6-7-9-16(15)17;1-4-5-10-19-18(20)15-11-14-8-6-7-9-16(14)17(12-15)13(2)3;1-13(2)19-15-6-4-3-5-14(15)17-16(19)21-12-9-18-7-10-20-11-8-18;1-4-7-15-14(18)11-5-6-13-12(8-11)16-9-17(13)10(2)3;1-9(2)15-12-7-5-4-6-11(12)14-13(15)17-8-10(3)16;2*1-4-9-16-13-14-11-7-5-6-8-12(11)15(13)10(2)3;1-8(2)14-7-13-11-6-10(9(3)15)4-5-12(11)14;1-4-12-13-10-7-5-6-8-11(10)14(12)9(2)3;1-8(2)13-10-7-5-4-6-9(10)12-11(13)14-3;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13/h6-13H,5H2,1-4H3,(H,19,20);6-9,11-13H,4-5,10H2,1-3H3,(H,19,20);3-6,13H,7-12H2,1-2H3;5-6,8-10H,4,7H2,1-3H3,(H,15,18);4-7,9H,8H2,1-3H3;2*5-8,10H,4,9H2,1-3H3;4-8H,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3
• InChIKey: BWGPPMYZZSPTAH-UHFFFAOYSA-N
• XLogP: 38.58
• TPSA: 294.29 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 30
• Rotatable Bonds: 37
• Heavy Atoms: 184
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2577.73
LogP ≤ 5	38.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)?

The IUPAC name of N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) (CID 157482020) is N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole).

What is the SMILES notation for N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)?

The canonical SMILES for N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) is CC(=O)CSc1nc2ccccc2n1C(C)C.CC(=O)c1ccc2c(c1)ncn2C(C)C.CC(C)n1c(SCCN2CCOCC2)nc2ccccc21.CCC(C)NC(=O)c1ccc(C(C)C)c2ccccc12.CCCCNC(=O)c1cc(C(C)C)c2ccccc2c1.CCCNC(=O)c1ccc2c(c1)ncn2C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCCSc1nc2ccccc2n1C(C)C.CCc1nc2ccccc2n1C(C)C.CSc1nc2ccccc2n1C(C)C.Cc1nc2ccccc2n1C(C)C.

What is the InChIKey of N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)?

The InChIKey is BWGPPMYZZSPTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H23NO.C16H23N3OS.C14H19N3O.C13H16N2OS.2C13H18N2S.C12H14N2O.C12H16N2.C11H14N2S.C11H14N2/c1-5-13(4)19-18(20)17-11-10-14(12(2)3)15-8-6-7-9-16(15)17;1-4-5-10-19-18(20)15-11-14-8-6-7-9-16(14)17(12-15)13(2)3;1-13(2)19-15-6-4-3-5-14(15)17-16(19)21-12-9-18-7-10-20-11-8-18;1-4-7-15-14(18)11-5-6-13-12(8-11)16-9-17(13)10(2)3;1-9(2)15-12-7-5-4-6-11(12)14-13(15)17-8-10(3)16;2*1-4-9-16-13-14-11-7-5-6-8-12(11)15(13)10(2)3;1-8(2)14-7-13-11-6-10(9(3)15)4-5-12(11)14;1-4-12-13-10-7-5-6-8-11(10)14(12)9(2)3;1-8(2)13-10-7-5-4-6-9(10)12-11(13)14-3;1-8(2)13-9(3)12-10-6-4-5-7-11(10)13/h6-13H,5H2,1-4H3,(H,19,20);6-9,11-13H,4-5,10H2,1-3H3,(H,19,20);3-6,13H,7-12H2,1-2H3;5-6,8-10H,4,7H2,1-3H3,(H,15,18);4-7,9H,8H2,1-3H3;2*5-8,10H,4,9H2,1-3H3;4-8H,1-3H3;5-9H,4H2,1-3H3;4-8H,1-3H3;4-8H,1-3H3.

What are the key properties of N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole)?

N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) has a molecular weight of 2577.73 g/mol, XLogP of 38.58, 37 rotatable bonds, 3 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for N-butan-2-yl-4-propan-2-ylnaphthalene-1-carboxamide;N-butyl-4-propan-2-ylnaphthalene-2-carboxamide;2-ethyl-1-propan-2-ylbenzimidazole;2-methyl-1-propan-2-ylbenzimidazole;2-methylsulfanyl-1-propan-2-ylbenzimidazole;1-(1-propan-2-ylbenzimidazol-5-yl)ethanone;4-[2-(1-propan-2-ylbenzimidazol-2-yl)sulfanylethyl]morpholine;1-(1-propan-2-ylbenzimidazol-2-yl)sulfanylpropan-2-one;1-propan-2-yl-N-propylbenzimidazole-5-carboxamide;bis(1-propan-2-yl-2-propylsulfanylbenzimidazole) is sourced from PubChem (CID 157482020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).