1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

C26H26N4O3S — CID 118737473

IUPAC1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H26N4O3S/c1-5-8-24-28-25-17(2)15-18(26-27-21-9-6-7-10-22(21)29(26)3)16-23(25)30(24)34(31,32)20-13-11-19(33-4)12-14-20/h6-7,9-16H,5,8H2,1-4H3
InChIKeyLDRPACDSBKEOBU-UHFFFAOYSA-N
MW474.59 g/mol
LogP5.10
Rot. Bonds6

About 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole

1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole (PubChem CID 118737473) has the molecular formula C26H26N4O3S and a molecular weight of 474.59 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole.

Molecular Properties

Compound Name1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
PubChem CID118737473
Molecular FormulaC26H26N4O3S
Molecular Weight474.59 g/mol
Exact Mass474.17
IUPAC Name1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole
SMILESCCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C26H26N4O3S/c1-5-8-24-28-25-17(2)15-18(26-27-21-9-6-7-10-22(21)29(26)3)16-23(25)30(24)34(31,32)20-13-11-19(33-4)12-14-20/h6-7,9-16H,5,8H2,1-4H3
InChIKeyLDRPACDSBKEOBU-UHFFFAOYSA-N
XLogP5.10
TPSA79.01 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.59
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The IUPAC name of 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole (CID 118737473) is 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole.
What is the SMILES notation for 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The canonical SMILES for 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole is CCCc1nc2c(C)cc(-c3nc4ccccc4n3C)cc2n1S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
The InChIKey is LDRPACDSBKEOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O3S/c1-5-8-24-28-25-17(2)15-18(26-27-21-9-6-7-10-22(21)29(26)3)16-23(25)30(24)34(31,32)20-13-11-19(33-4)12-14-20/h6-7,9-16H,5,8H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole?
1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole has a molecular weight of 474.59 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)sulfonyl-4-methyl-6-(1-methylbenzimidazol-2-yl)-2-propylbenzimidazole is sourced from PubChem (CID 118737473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).