1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole

C17H18N2O4S — CID 700152

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C17H18N2O4S/c1-11-7-14-15(8-12(11)2)19(10-18-14)24(20,21)17-9-13(22-3)5-6-16(17)23-4/h5-10H,1-4H3
InChIKeyNANVRRCGNBSVCD-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.91
Rot. Bonds4

About 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole

1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole (PubChem CID 700152) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
PubChem CID700152
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCOc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1
InChIInChI=1S/C17H18N2O4S/c1-11-7-14-15(8-12(11)2)19(10-18-14)24(20,21)17-9-13(22-3)5-6-16(17)23-4/h5-10H,1-4H3
InChIKeyNANVRRCGNBSVCD-UHFFFAOYSA-N
XLogP2.91
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole (CID 700152) is 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole is COc1ccc(OC)c(S(=O)(=O)n2cnc3cc(C)c(C)cc32)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The InChIKey is NANVRRCGNBSVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-11-7-14-15(8-12(11)2)19(10-18-14)24(20,21)17-9-13(22-3)5-6-16(17)23-4/h5-10H,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole?
1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole has a molecular weight of 346.41 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 700152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).