2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide

C15H20ClN3O3S — CID 7246760

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H20ClN3O3S/c1-21-7-5-19(6-8-22-2)14(20)10-23-15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyDCIHNHOYEGHQMM-UHFFFAOYSA-N
MW357.86 g/mol
LogP2.43
Rot. Bonds9

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide (PubChem CID 7246760) has the molecular formula C15H20ClN3O3S and a molecular weight of 357.86 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide
PubChem CID7246760
Molecular FormulaC15H20ClN3O3S
Molecular Weight357.86 g/mol
Exact Mass357.09
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide
SMILESCOCCN(CCOC)C(=O)CSc1nc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C15H20ClN3O3S/c1-21-7-5-19(6-8-22-2)14(20)10-23-15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9H,5-8,10H2,1-2H3,(H,17,18)
InChIKeyDCIHNHOYEGHQMM-UHFFFAOYSA-N
XLogP2.43
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.86
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-methyl-N-phenylacetamide
CID 2161102
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(2-ethyl-6-methylphenyl)-N-[(2R)-1-methoxypropan-2-yl]acetamide
CID 2215507
N-benzyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-propan-2-ylacetamide
CID 2483829
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
N,N-diethyl-2-[(6-hydroxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 84617366
N,N-diethyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 891266
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N,N-diethylacetamide
CID 4816437
2-[[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-methylamino]-N-(4-fluorophenyl)acetamide
CID 7225853
methyl 5-[2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 112775621
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2650215
2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-bis(2-methoxyethyl)acetamide
CID 7982247

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide (CID 7246760) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide is COCCN(CCOC)C(=O)CSc1nc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide?
The InChIKey is DCIHNHOYEGHQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O3S/c1-21-7-5-19(6-8-22-2)14(20)10-23-15-17-12-4-3-11(16)9-13(12)18-15/h3-4,9H,5-8,10H2,1-2H3,(H,17,18).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide has a molecular weight of 357.86 g/mol, XLogP of 2.43, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N,N-bis(2-methoxyethyl)acetamide is sourced from PubChem (CID 7246760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).