[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate

C22H19N3O2S — CID 69371891

IUPAC[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCCc1ccc(Sc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-2-14-3-8-17(9-4-14)28-18-10-5-15(6-11-18)21-24-19-12-7-16(27-22(23)26)13-20(19)25-21/h3-13H,2H2,1H3,(H2,23,26)(H,24,25)
InChIKeyMOLVPUOJCFCHIF-UHFFFAOYSA-N
MW389.48 g/mol
LogP5.40
Rot. Bonds5

About [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate

[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate (PubChem CID 69371891) has the molecular formula C22H19N3O2S and a molecular weight of 389.48 g/mol. Its IUPAC name is [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate.

Molecular Properties

Compound Name[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
PubChem CID69371891
Molecular FormulaC22H19N3O2S
Molecular Weight389.48 g/mol
Exact Mass389.12
IUPAC Name[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate
SMILESCCc1ccc(Sc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1
InChIInChI=1S/C22H19N3O2S/c1-2-14-3-8-17(9-4-14)28-18-10-5-15(6-11-18)21-24-19-12-7-16(27-22(23)26)13-20(19)25-21/h3-13H,2H2,1H3,(H2,23,26)(H,24,25)
InChIKeyMOLVPUOJCFCHIF-UHFFFAOYSA-N
XLogP5.40
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.48
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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-[1-(1H-imidazol-2-yl)ethyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343445
[2-[4-[(6-chloro-1,3-benzodioxol-5-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69343226
[2-[4-[4-(methanesulfonamido)phenoxy]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69371270
[2-[4-[hydroxy(naphthalen-2-yl)methyl]phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69346240
[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-[3-chloro-4-(3-chloro-4-methylphenoxy)phenyl]-3H-benzimidazol-5-yl] carbamate
CID 69372375
ethyl 2-(4-methoxyphenyl)-3H-benzimidazole-5-carboxylate;dihydrate
CID 134694491
(4-ethylphenyl) carbamate
CID 1269945

Frequently Asked Questions

What is the IUPAC name of [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate?
The IUPAC name of [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate (CID 69371891) is [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate.
What is the SMILES notation for [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate?
The canonical SMILES for [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate is CCc1ccc(Sc2ccc(-c3nc4ccc(OC(N)=O)cc4[nH]3)cc2)cc1.
What is the InChIKey of [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate?
The InChIKey is MOLVPUOJCFCHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2S/c1-2-14-3-8-17(9-4-14)28-18-10-5-15(6-11-18)21-24-19-12-7-16(27-22(23)26)13-20(19)25-21/h3-13H,2H2,1H3,(H2,23,26)(H,24,25).
What are the key properties of [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate?
[2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate has a molecular weight of 389.48 g/mol, XLogP of 5.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(4-ethylphenyl)sulfanylphenyl]-3H-benzimidazol-5-yl] carbamate is sourced from PubChem (CID 69371891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).