[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate

C21H18N4O5S — CID 69371270

IUPAC[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H18N4O5S/c1-31(27,28)25-14-4-8-16(9-5-14)29-15-6-2-13(3-7-15)20-23-18-11-10-17(30-21(22)26)12-19(18)24-20/h2-12,25H,1H3,(H2,22,26)(H,23,24)
InChIKeyMAWNIJKGMJHWEU-UHFFFAOYSA-N
MW438.47 g/mol
LogP3.85
Rot. Bonds6

About [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate

[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69371270) has the molecular formula C21H18N4O5S and a molecular weight of 438.47 g/mol. Its IUPAC name is [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69371270
Molecular FormulaC21H18N4O5S
Molecular Weight438.47 g/mol
Exact Mass438.10
IUPAC Name[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCS(=O)(=O)Nc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C21H18N4O5S/c1-31(27,28)25-14-4-8-16(9-5-14)29-15-6-2-13(3-7-15)20-23-18-11-10-17(30-21(22)26)12-19(18)24-20/h2-12,25H,1H3,(H2,22,26)(H,23,24)
InChIKeyMAWNIJKGMJHWEU-UHFFFAOYSA-N
XLogP3.85
TPSA136.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.47
LogP ≤ 53.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[4-(4-ethylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371809
[2-(4-pyridin-2-ylphenyl)-3H-benzimidazol-5-yl] carbamate
CID 69373002
[2-(4-phenoxyphenyl)-3H-benzimidazol-5-yl] hydrogen carbonate
CID 67362236
[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371891
[2-[4-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343445
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
[2-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375
[2-[4-[furan-3-yl(hydroxy)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343119
(2-phenyl-3H-benzimidazol-5-yl) acetate
CID 57208111
[2-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69342788
[2-[6-(4-chlorophenoxy)pyridazin-3-yl]-3H-benzimidazol-5-yl] carbamate
CID 69372062
[2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343226

Frequently Asked Questions

What is the IUPAC name of [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate (CID 69371270) is [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate is CS(=O)(=O)Nc1ccc(Oc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1.
What is the InChIKey of [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is MAWNIJKGMJHWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O5S/c1-31(27,28)25-14-4-8-16(9-5-14)29-15-6-2-13(3-7-15)20-23-18-11-10-17(30-21(22)26)12-19(18)24-20/h2-12,25H,1H3,(H2,22,26)(H,23,24).
What are the key properties of [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 438.47 g/mol, XLogP of 3.85, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69371270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).