2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide

C17H24ClN3O2S — CID 46672821

IUPAC2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1nc2cc(Cl)ccc2n1CCOC
InChIInChI=1S/C17H24ClN3O2S/c1-4-5-12(2)19-16(22)11-24-17-20-14-10-13(18)6-7-15(14)21(17)8-9-23-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyFVZJLDCKNCQSIA-UHFFFAOYSA-N
MW369.92 g/mol
LogP3.73
Rot. Bonds9

About 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide

2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide (PubChem CID 46672821) has the molecular formula C17H24ClN3O2S and a molecular weight of 369.92 g/mol. Its IUPAC name is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide.

Molecular Properties

Compound Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
PubChem CID46672821
Molecular FormulaC17H24ClN3O2S
Molecular Weight369.92 g/mol
Exact Mass369.13
IUPAC Name2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
SMILESCCCC(C)NC(=O)CSc1nc2cc(Cl)ccc2n1CCOC
InChIInChI=1S/C17H24ClN3O2S/c1-4-5-12(2)19-16(22)11-24-17-20-14-10-13(18)6-7-15(14)21(17)8-9-23-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,22)
InChIKeyFVZJLDCKNCQSIA-UHFFFAOYSA-N
XLogP3.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.92
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 7829532
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-N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]acetamide
CID 35103129
2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2S)-pentan-2-yl]acetamide
CID 7856953
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-[(1R)-1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 36610115
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2-(1-butyl-5-sulfamoylbenzimidazol-2-yl)sulfanyl-N-[(2R)-pentan-2-yl]acetamide
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CID 42971675
2-[7-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(1S)-1-phenylethyl]acetamide
CID 2611286
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 4026208
2-[5-chloro-1-(3-methylbutyl)benzimidazol-2-yl]sulfanylacetic acid
CID 43659624
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-1-(2-methylmorpholin-4-yl)ethanone
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Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide?
The IUPAC name of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide (CID 46672821) is 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide.
What is the SMILES notation for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide?
The canonical SMILES for 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide is CCCC(C)NC(=O)CSc1nc2cc(Cl)ccc2n1CCOC.
What is the InChIKey of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide?
The InChIKey is FVZJLDCKNCQSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3O2S/c1-4-5-12(2)19-16(22)11-24-17-20-14-10-13(18)6-7-15(14)21(17)8-9-23-3/h6-7,10,12H,4-5,8-9,11H2,1-3H3,(H,19,22).
What are the key properties of 2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide?
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide has a molecular weight of 369.92 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 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-pentan-2-ylacetamide is sourced from PubChem (CID 46672821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).