1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole

C21H17ClN2O3S — CID 3217756

IUPAC1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O3S/c1-27-20-9-5-2-6-15(20)14-21-23-18-7-3-4-8-19(18)24(21)28(25,26)17-12-10-16(22)11-13-17/h2-13H,14H2,1H3
InChIKeySJBRJWVOUSMLOU-UHFFFAOYSA-N
MW412.90 g/mol
LogP4.53
Rot. Bonds5

About 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole

1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole (PubChem CID 3217756) has the molecular formula C21H17ClN2O3S and a molecular weight of 412.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole
PubChem CID3217756
Molecular FormulaC21H17ClN2O3S
Molecular Weight412.90 g/mol
Exact Mass412.06
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole
SMILESCOc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17ClN2O3S/c1-27-20-9-5-2-6-15(20)14-21-23-18-7-3-4-8-19(18)24(21)28(25,26)17-12-10-16(22)11-13-17/h2-13H,14H2,1H3
InChIKeySJBRJWVOUSMLOU-UHFFFAOYSA-N
XLogP4.53
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.90
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole (CID 3217756) is 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole is COc1ccccc1Cc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole?
The InChIKey is SJBRJWVOUSMLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O3S/c1-27-20-9-5-2-6-15(20)14-21-23-18-7-3-4-8-19(18)24(21)28(25,26)17-12-10-16(22)11-13-17/h2-13H,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole?
1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole has a molecular weight of 412.90 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-[(2-methoxyphenyl)methyl]benzimidazole is sourced from PubChem (CID 3217756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).