4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine

C20H23N3O4S — CID 646739

IUPAC4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine
SMILESCOc1ccc(S(=O)(=O)n2c(CCN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3O4S/c1-26-16-6-8-17(9-7-16)28(24,25)23-19-5-3-2-4-18(19)21-20(23)10-11-22-12-14-27-15-13-22/h2-9H,10-15H2,1H3
InChIKeyNIQAWBHCACMOSZ-UHFFFAOYSA-N
MW401.49 g/mol
LogP2.16
Rot. Bonds6

About 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine

4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine (PubChem CID 646739) has the molecular formula C20H23N3O4S and a molecular weight of 401.49 g/mol. Its IUPAC name is 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine
PubChem CID646739
Molecular FormulaC20H23N3O4S
Molecular Weight401.49 g/mol
Exact Mass401.14
IUPAC Name4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine
SMILESCOc1ccc(S(=O)(=O)n2c(CCN3CCOCC3)nc3ccccc32)cc1
InChIInChI=1S/C20H23N3O4S/c1-26-16-6-8-17(9-7-16)28(24,25)23-19-5-3-2-4-18(19)21-20(23)10-11-22-12-14-27-15-13-22/h2-9H,10-15H2,1H3
InChIKeyNIQAWBHCACMOSZ-UHFFFAOYSA-N
XLogP2.16
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(2-phenoxyethyl)-1H-benzimidazol-2-yl]methanol
CID 741502
1-[2-(4-fluorophenoxy)ethyl]-2-methyl-1H-benzimidazole
CID 761921
2-(phenoxymethyl)-1-propyl-1H-benzimidazole
CID 921242
1-methyl-2-(phenoxymethyl)-1H-benzo[d]imidazole
CID 678003
2-(phenoxymethyl)-1-(propan-2-yl)-1H-1,3-benzodiazole
CID 687914
2-(1-methylpiperidin-3-yl)-1-(2-phenoxyethyl)-1H-benzo[d]imidazole
CID 46861858
2-(Phenoxymethyl)-1-prop-2-enylbenzimidazole
CID 716444
1-(4-Ethoxyphenyl)sulfonylbenzimidazole
CID 846993
1-(4-Fluoro-2-methoxy-benzenesulfonyl)-2-methyl-1H-benzoimidazole
CID 1106581
1-(5-Fluoro-2-methoxyphenyl)sulfonylbenzimidazole
CID 1583575
4-methoxy-N-[3-(prop-2-enylamino)quinoxalin-2-yl]benzenesulfonamide
CID 1636052
2-Methyl-1-(2-phenoxyethyl)benzimidazole
CID 2851825

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine (CID 646739) is 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine is COc1ccc(S(=O)(=O)n2c(CCN3CCOCC3)nc3ccccc32)cc1.
What is the InChIKey of 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine?
The InChIKey is NIQAWBHCACMOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4S/c1-26-16-6-8-17(9-7-16)28(24,25)23-19-5-3-2-4-18(19)21-20(23)10-11-22-12-14-27-15-13-22/h2-9H,10-15H2,1H3.
What are the key properties of 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine?
4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine has a molecular weight of 401.49 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(4-methoxyphenyl)sulfonylbenzimidazol-2-yl]ethyl]morpholine is sourced from PubChem (CID 646739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).