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

C16H17ClN4OS — CID 4819559

IUPAC2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)CCCCC1
InChIInChI=1S/C16H17ClN4OS/c17-11-4-5-12-13(8-11)20-15(19-12)23-9-14(22)21-16(10-18)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,19,20)(H,21,22)
InChIKeyARAJGIRZDFAJKA-UHFFFAOYSA-N
MW348.86 g/mol
LogP3.65
Rot. Bonds4

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

2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide (PubChem CID 4819559) has the molecular formula C16H17ClN4OS and a molecular weight of 348.86 g/mol. Its IUPAC name is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide.

Molecular Properties

Compound Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
PubChem CID4819559
Molecular FormulaC16H17ClN4OS
Molecular Weight348.86 g/mol
Exact Mass348.08
IUPAC Name2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide
SMILESN#CC1(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)CCCCC1
InChIInChI=1S/C16H17ClN4OS/c17-11-4-5-12-13(8-11)20-15(19-12)23-9-14(22)21-16(10-18)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,19,20)(H,21,22)
InChIKeyARAJGIRZDFAJKA-UHFFFAOYSA-N
XLogP3.65
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.86
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide?
The IUPAC name of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide (CID 4819559) is 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide.
What is the SMILES notation for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide?
The canonical SMILES for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide is N#CC1(NC(=O)CSc2nc3ccc(Cl)cc3[nH]2)CCCCC1.
What is the InChIKey of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide?
The InChIKey is ARAJGIRZDFAJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4OS/c17-11-4-5-12-13(8-11)20-15(19-12)23-9-14(22)21-16(10-18)6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2,(H,19,20)(H,21,22).
What are the key properties of 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide?
2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide has a molecular weight of 348.86 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-1H-benzimidazol-2-yl)sulfanyl]-N-(1-cyanocyclohexyl)acetamide is sourced from PubChem (CID 4819559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).