N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

C19H21ClN4OS — CID 55305598

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2cc(Cl)ccc2N(C)C)nc2ccccc21
InChIInChI=1S/C19H21ClN4OS/c1-4-24-17-8-6-5-7-14(17)22-19(24)26-12-18(25)21-15-11-13(20)9-10-16(15)23(2)3/h5-11H,4,12H2,1-3H3,(H,21,25)
InChIKeyAKYSTWNGSOUZDP-UHFFFAOYSA-N
MW388.92 g/mol
LogP4.51
Rot. Bonds6

About N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 55305598) has the molecular formula C19H21ClN4OS and a molecular weight of 388.92 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID55305598
Molecular FormulaC19H21ClN4OS
Molecular Weight388.92 g/mol
Exact Mass388.11
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2cc(Cl)ccc2N(C)C)nc2ccccc21
InChIInChI=1S/C19H21ClN4OS/c1-4-24-17-8-6-5-7-14(17)22-19(24)26-12-18(25)21-15-11-13(20)9-10-16(15)23(2)3/h5-11H,4,12H2,1-3H3,(H,21,25)
InChIKeyAKYSTWNGSOUZDP-UHFFFAOYSA-N
XLogP4.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171471
N-(3,4-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171467
N-(2,6-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171502
N-[5-chloro-2-(dimethylamino)phenyl]-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 55304430
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(propan-2-ylcarbamoylamino)phenyl]acetamide
CID 60554948
N-(5-chloro-2-methoxyphenyl)-2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]sulfanylacetamide
CID 1440945
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-iodophenyl)acetamide
CID 18279761
N-(3,5-dimethoxyphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 1142140
N-[(2S)-butan-2-yl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7171399
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(1-hydroxybutan-2-yl)acetamide
CID 110888361
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 41269093

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (CID 55305598) is N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2cc(Cl)ccc2N(C)C)nc2ccccc21.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is AKYSTWNGSOUZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4OS/c1-4-24-17-8-6-5-7-14(17)22-19(24)26-12-18(25)21-15-11-13(20)9-10-16(15)23(2)3/h5-11H,4,12H2,1-3H3,(H,21,25).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 388.92 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 55305598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).