1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole

C17H18N2O3S — CID 673991

IUPAC1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C
InChIInChI=1S/C17H18N2O3S/c1-11-8-15-16(9-12(11)2)19(10-18-15)23(20,21)14-5-6-17(22-4)13(3)7-14/h5-10H,1-4H3
InChIKeyATCFEHGVDSQIDX-UHFFFAOYSA-N
MW330.41 g/mol
LogP3.21
Rot. Bonds3

About 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole

1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole (PubChem CID 673991) has the molecular formula C17H18N2O3S and a molecular weight of 330.41 g/mol. Its IUPAC name is 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole.

Molecular Properties

Compound Name1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
PubChem CID673991
Molecular FormulaC17H18N2O3S
Molecular Weight330.41 g/mol
Exact Mass330.10
IUPAC Name1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole
SMILESCOc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C
InChIInChI=1S/C17H18N2O3S/c1-11-8-15-16(9-12(11)2)19(10-18-15)23(20,21)14-5-6-17(22-4)13(3)7-14/h5-10H,1-4H3
InChIKeyATCFEHGVDSQIDX-UHFFFAOYSA-N
XLogP3.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The IUPAC name of 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole (CID 673991) is 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole.
What is the SMILES notation for 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The canonical SMILES for 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole is COc1ccc(S(=O)(=O)n2cnc3cc(C)c(C)cc32)cc1C.
What is the InChIKey of 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole?
The InChIKey is ATCFEHGVDSQIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S/c1-11-8-15-16(9-12(11)2)19(10-18-15)23(20,21)14-5-6-17(22-4)13(3)7-14/h5-10H,1-4H3.
What are the key properties of 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole?
1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole has a molecular weight of 330.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-3-methylphenyl)sulfonyl-5,6-dimethylbenzimidazole is sourced from PubChem (CID 673991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).