N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

C18H18ClN3OS — CID 7171471

IUPACN-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2ccccc21
InChIInChI=1S/C18H18ClN3OS/c1-3-22-16-7-5-4-6-14(16)21-18(22)24-11-17(23)20-15-10-13(19)9-8-12(15)2/h4-10H,3,11H2,1-2H3,(H,20,23)
InChIKeyBPPPQVCMMVKXHY-UHFFFAOYSA-N
MW359.88 g/mol
LogP4.75
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide

N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (PubChem CID 7171471) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
PubChem CID7171471
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC NameN-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
SMILESCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2ccccc21
InChIInChI=1S/C18H18ClN3OS/c1-3-22-16-7-5-4-6-14(16)21-18(22)24-11-17(23)20-15-10-13(19)9-8-12(15)2/h4-10H,3,11H2,1-2H3,(H,20,23)
InChIKeyBPPPQVCMMVKXHY-UHFFFAOYSA-N
XLogP4.75
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(dimethylamino)phenyl]-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 55305598
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-methylphenyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1015118
N-(5-chloro-2-methylphenyl)-2-[3-(3-hydroxypropyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2575489
N-(2,6-difluorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide
CID 7246603
N-(2,5-dimethylphenyl)-2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanylacetamide
CID 1162800
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-(1-hydroxybutan-2-yl)acetamide
CID 110888361
N-(5-chloro-2-methylphenyl)-2-(4-methylquinolin-2-yl)sulfanylacetamide
CID 39757992
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide (CID 7171471) is N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2ccccc21.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
The InChIKey is BPPPQVCMMVKXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-3-22-16-7-5-4-6-14(16)21-18(22)24-11-17(23)20-15-10-13(19)9-8-12(15)2/h4-10H,3,11H2,1-2H3,(H,20,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide?
N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide has a molecular weight of 359.88 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylacetamide is sourced from PubChem (CID 7171471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).