N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

C24H23N3OS — CID 55429806

IUPACN-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCCn1c(CNC(=O)C(Sc2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H23N3OS/c1-2-27-21-16-10-9-15-20(21)26-22(27)17-25-24(28)23(18-11-5-3-6-12-18)29-19-13-7-4-8-14-19/h3-16,23H,2,17H2,1H3,(H,25,28)
InChIKeyAAJOBDFWBWPACC-UHFFFAOYSA-N
MW401.54 g/mol
LogP5.21
Rot. Bonds7

About N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide (PubChem CID 55429806) has the molecular formula C24H23N3OS and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide.

Molecular Properties

Compound NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
PubChem CID55429806
Molecular FormulaC24H23N3OS
Molecular Weight401.54 g/mol
Exact Mass401.16
IUPAC NameN-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide
SMILESCCn1c(CNC(=O)C(Sc2ccccc2)c2ccccc2)nc2ccccc21
InChIInChI=1S/C24H23N3OS/c1-2-27-21-16-10-9-15-20(21)26-22(27)17-25-24(28)23(18-11-5-3-6-12-18)29-19-13-7-4-8-14-19/h3-16,23H,2,17H2,1H3,(H,25,28)
InChIKeyAAJOBDFWBWPACC-UHFFFAOYSA-N
XLogP5.21
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.54
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-ethylbenzimidazol-2-yl)methyl]-2-methyl-2-phenylpropanamide
CID 47012383
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(2-methylphenyl)sulfanylacetamide
CID 18086685
3-amino-N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-2-methyl-3-phenylpropanamide
CID 119866298
N-[(1-ethylbenzimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 16969775
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-phenylcyclopropane-1-carboxamide
CID 47012382
2-(1,3-dioxoisoindol-2-yl)-N-[(1-ethylbenzimidazol-2-yl)methyl]-3-methylbutanamide
CID 55389843
benzyl N-[(2S)-1-[(1-ethylbenzimidazol-2-yl)methylamino]-1-oxopropan-2-yl]carbamate
CID 18116769
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 18121498
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
2-methyl-N-[[1-[2-oxo-2-(1-phenylethylamino)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17029092
2-(4-tert-butylphenoxy)-N-[(1-ethylbenzimidazol-2-yl)methyl]propanamide
CID 55408770
2-[(1-ethylbenzimidazol-2-yl)methylamino]-N-methylacetamide
CID 60673139

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The IUPAC name of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide (CID 55429806) is N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide.
What is the SMILES notation for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The canonical SMILES for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide is CCn1c(CNC(=O)C(Sc2ccccc2)c2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
The InChIKey is AAJOBDFWBWPACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3OS/c1-2-27-21-16-10-9-15-20(21)26-22(27)17-25-24(28)23(18-11-5-3-6-12-18)29-19-13-7-4-8-14-19/h3-16,23H,2,17H2,1H3,(H,25,28).
What are the key properties of N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide?
N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide has a molecular weight of 401.54 g/mol, XLogP of 5.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylbenzimidazol-2-yl)methyl]-2-phenyl-2-phenylsulfanylacetamide is sourced from PubChem (CID 55429806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).