2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

C22H23ClFN3O2S — CID 24573917

IUPAC2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCOCCn1c(SCC(=O)N(Cc2ccccc2F)C2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H23ClFN3O2S/c1-29-11-10-26-20-9-6-16(23)12-19(20)25-22(26)30-14-21(28)27(17-7-8-17)13-15-4-2-3-5-18(15)24/h2-6,9,12,17H,7-8,10-11,13-14H2,1H3
InChIKeyBODTXQQNHDFLNU-UHFFFAOYSA-N
MW447.96 g/mol
LogP4.76
Rot. Bonds9

About 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide

2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (PubChem CID 24573917) has the molecular formula C22H23ClFN3O2S and a molecular weight of 447.96 g/mol. Its IUPAC name is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
PubChem CID24573917
Molecular FormulaC22H23ClFN3O2S
Molecular Weight447.96 g/mol
Exact Mass447.12
IUPAC Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide
SMILESCOCCn1c(SCC(=O)N(Cc2ccccc2F)C2CC2)nc2cc(Cl)ccc21
InChIInChI=1S/C22H23ClFN3O2S/c1-29-11-10-26-20-9-6-16(23)12-19(20)25-22(26)30-14-21(28)27(17-7-8-17)13-15-4-2-3-5-18(15)24/h2-6,9,12,17H,7-8,10-11,13-14H2,1H3
InChIKeyBODTXQQNHDFLNU-UHFFFAOYSA-N
XLogP4.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.96
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46608350
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 36610115
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 46806440
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methylacetamide
CID 24573923
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 51174297
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
CID 51293358
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 46672821
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide
CID 8809756
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-phenylsulfanylacetamide
CID 78810506
N-benzyl-N-tert-butyl-2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
CID 2611072
2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclohexyl-N-ethylacetamide
CID 55311914
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 7829532

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide (CID 24573917) is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is COCCn1c(SCC(=O)N(Cc2ccccc2F)C2CC2)nc2cc(Cl)ccc21.
What is the InChIKey of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
The InChIKey is BODTXQQNHDFLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClFN3O2S/c1-29-11-10-26-20-9-6-16(23)12-19(20)25-22(26)30-14-21(28)27(17-7-8-17)13-15-4-2-3-5-18(15)24/h2-6,9,12,17H,7-8,10-11,13-14H2,1H3.
What are the key properties of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide?
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide has a molecular weight of 447.96 g/mol, XLogP of 4.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 24573917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).