5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole

C24H21N5O3S — CID 46226690

IUPAC5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Cn2ccnc2)cc1
InChIInChI=1S/C24H21N5O3S/c1-2-33(30,31)19-8-6-18(7-9-19)32-23-14-22-21(13-17(23)15-29-12-11-25-16-29)27-24(28-22)20-5-3-4-10-26-20/h3-14,16H,2,15H2,1H3,(H,27,28)
InChIKeyPGZFLIGICKGSIH-UHFFFAOYSA-N
MW459.53 g/mol
LogP4.46
Rot. Bonds7

About 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole

5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole (PubChem CID 46226690) has the molecular formula C24H21N5O3S and a molecular weight of 459.53 g/mol. Its IUPAC name is 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole.

Molecular Properties

Compound Name5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
PubChem CID46226690
Molecular FormulaC24H21N5O3S
Molecular Weight459.53 g/mol
Exact Mass459.14
IUPAC Name5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole
SMILESCCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Cn2ccnc2)cc1
InChIInChI=1S/C24H21N5O3S/c1-2-33(30,31)19-8-6-18(7-9-19)32-23-14-22-21(13-17(23)15-29-12-11-25-16-29)27-24(28-22)20-5-3-4-10-26-20/h3-14,16H,2,15H2,1H3,(H,27,28)
InChIKeyPGZFLIGICKGSIH-UHFFFAOYSA-N
XLogP4.46
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Raf265
CID 11656518
Omeprazole sulfone
CID 145900
N-(3-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064750
3-[[6-(4-ethylsulfonylphenoxy)-2-pyridin-2-yl-3H-benzimidazol-5-yl]methyl]-1-methylimidazolidine-2,4-dione
CID 11504344
1-({5-[4-(Ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1Hbenzimidazol-6-yl}methyl)pyrrolidine-2,5-dione
CID 11562233
N-((5-(4-(ethylsulfonyl)phenoxy)-2-(pyridin-2-yl)-1H-benzo[d]imidazol-6-yl)methyl)-N-methylacetamide
CID 11605090
6-[(1,1-Dioxidoisothiazolidin-2-yl)methyl]-5-[4-(ethylsulfonyl)phenoxy]-2-(pyridin-2-yl)-1H-benzimidazole
CID 11649204
N-(4-tert-butylphenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064288
1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]benzimidazol-2-amine
CID 16064449
N-(3-tert-butylphenyl)-1-methyl-5-[[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-amine
CID 16064748
N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064891
N-(5-tert-butyl-2-fluorophenyl)-1-methyl-5-[2-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridin-4-yl]oxybenzimidazol-2-amine
CID 16064892

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole?
The IUPAC name of 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole (CID 46226690) is 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole.
What is the SMILES notation for 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole?
The canonical SMILES for 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole is CCS(=O)(=O)c1ccc(Oc2cc3nc(-c4ccccn4)[nH]c3cc2Cn2ccnc2)cc1.
What is the InChIKey of 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole?
The InChIKey is PGZFLIGICKGSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O3S/c1-2-33(30,31)19-8-6-18(7-9-19)32-23-14-22-21(13-17(23)15-29-12-11-25-16-29)27-24(28-22)20-5-3-4-10-26-20/h3-14,16H,2,15H2,1H3,(H,27,28).
What are the key properties of 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole?
5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole has a molecular weight of 459.53 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylsulfonylphenoxy)-6-(imidazol-1-ylmethyl)-2-pyridin-2-yl-1H-benzimidazole is sourced from PubChem (CID 46226690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).