2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide

C16H20ClN3OS — CID 2086667

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)NC1CCCCCC1
InChIInChI=1S/C16H20ClN3OS/c17-11-7-8-13-14(9-11)20-16(19-13)22-10-15(21)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,18,21)(H,19,20)
InChIKeyXJZLUFALVKUYAE-UHFFFAOYSA-N
MW337.88 g/mol
LogP4.15
Rot. Bonds4

About 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide (PubChem CID 2086667) has the molecular formula C16H20ClN3OS and a molecular weight of 337.88 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
PubChem CID2086667
Molecular FormulaC16H20ClN3OS
Molecular Weight337.88 g/mol
Exact Mass337.10
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide
SMILESO=C(CSc1nc2ccc(Cl)cc2[nH]1)NC1CCCCCC1
InChIInChI=1S/C16H20ClN3OS/c17-11-7-8-13-14(9-11)20-16(19-13)22-10-15(21)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,18,21)(H,19,20)
InChIKeyXJZLUFALVKUYAE-UHFFFAOYSA-N
XLogP4.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.88
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cyclopropylacetamide
CID 2651947
N-cyclopentyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 950856
N-tert-butyl-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2096673
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
CID 4819559
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propan-2-ylcarbamoyl)acetamide
CID 2650215
N-(1,1-dioxothian-4-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 91783867
N-cyclohexyl-2-[(6-iodo-4-oxo-3H-quinazolin-2-yl)sulfanyl]acetamide
CID 135509326
N-cyclohexyl-2-(1H-imidazo[4,5-b]pyridin-2-ylsulfanyl)acetamide
CID 2989776
N-(5-bromo-2-pyridinyl)-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 6498506
2-(4-chlorophenyl)sulfanyl-N-cyclododecylacetamide
CID 19203546
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-[(1R)-1-phenylethyl]acetamide
CID 2085290
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(propylcarbamoyl)acetamide
CID 5134379

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide (CID 2086667) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide is O=C(CSc1nc2ccc(Cl)cc2[nH]1)NC1CCCCCC1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
The InChIKey is XJZLUFALVKUYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3OS/c17-11-7-8-13-14(9-11)20-16(19-13)22-10-15(21)18-12-5-3-1-2-4-6-12/h7-9,12H,1-6,10H2,(H,18,21)(H,19,20).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide has a molecular weight of 337.88 g/mol, XLogP of 4.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-cycloheptylacetamide is sourced from PubChem (CID 2086667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).