2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide

C15H20ClN3O2S — CID 7829532

IUPAC2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(SCC(=O)NCCOC)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3O2S/c1-3-7-19-13-5-4-11(16)9-12(13)18-15(19)22-10-14(20)17-6-8-21-2/h4-5,9H,3,6-8,10H2,1-2H3,(H,17,20)
InChIKeyQKPLBKCDOCOGMV-UHFFFAOYSA-N
MW341.86 g/mol
LogP2.95
Rot. Bonds8

About 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide

2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide (PubChem CID 7829532) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
PubChem CID7829532
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC Name2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide
SMILESCCCn1c(SCC(=O)NCCOC)nc2cc(Cl)ccc21
InChIInChI=1S/C15H20ClN3O2S/c1-3-7-19-13-5-4-11(16)9-12(13)18-15(19)22-10-14(20)17-6-8-21-2/h4-5,9H,3,6-8,10H2,1-2H3,(H,17,20)
InChIKeyQKPLBKCDOCOGMV-UHFFFAOYSA-N
XLogP2.95
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 30398563
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-prop-2-enylacetamide
CID 51174297
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 34929552
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-pentan-2-ylacetamide
CID 46672821
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 16542555
2-[7-chloro-3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 2645284
N-butyl-2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide
CID 7738113
2-[5-chloro-1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(cyclopentylcarbamoyl)acetamide
CID 46806440
2-(7-chloro-4-oxo-3-propylquinazolin-2-yl)sulfanyl-N-ethylacetamide
CID 2488330
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804
2-[5-chloro-1-[2-(ethylamino)-2-oxoethyl]benzimidazol-2-yl]sulfanylacetic acid
CID 43659809
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-1-(2,6-dimethylmorpholin-4-yl)ethanone
CID 42988459

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide (CID 7829532) is 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide is CCCn1c(SCC(=O)NCCOC)nc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
The InChIKey is QKPLBKCDOCOGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-3-7-19-13-5-4-11(16)9-12(13)18-15(19)22-10-14(20)17-6-8-21-2/h4-5,9H,3,6-8,10H2,1-2H3,(H,17,20).
What are the key properties of 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide?
2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide has a molecular weight of 341.86 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-propylbenzimidazol-2-yl)sulfanyl-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 7829532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).