2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide

C15H18N4OS — CID 680651

IUPAC2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NN=C1CCCCC1
InChIInChI=1S/C15H18N4OS/c20-14(19-18-11-6-2-1-3-7-11)10-21-15-16-12-8-4-5-9-13(12)17-15/h4-5,8-9H,1-3,6-7,10H2,(H,16,17)(H,19,20)
InChIKeyMEUFWUBEVGWGET-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.09
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide

2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide (PubChem CID 680651) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide
PubChem CID680651
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide
SMILESO=C(CSc1nc2ccccc2[nH]1)NN=C1CCCCC1
InChIInChI=1S/C15H18N4OS/c20-14(19-18-11-6-2-1-3-7-11)10-21-15-16-12-8-4-5-9-13(12)17-15/h4-5,8-9H,1-3,6-7,10H2,(H,16,17)(H,19,20)
InChIKeyMEUFWUBEVGWGET-UHFFFAOYSA-N
XLogP3.09
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-1-phenylethylideneamino]acetamide
CID 5391782
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[(E)-(3-oxocyclohexylidene)amino]benzamide
CID 6520130
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-fluorophenyl)methylideneamino]acetamide
CID 696957
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2-iodophenyl)methylideneamino]acetamide
CID 1202097
2-(1H-benzimidazol-2-ylsulfanyl)-1-cyclohexylethanone
CID 113341185
N-(1H-benzimidazol-2-ylmethyl)-2-(1H-benzimidazol-2-ylsulfanyl)acetamide
CID 21008859
2-(1H-benzimidazol-2-ylsulfanyl)-N-(2-pyrrolidin-1-ium-1-ylethyl)acetamide
CID 4520418
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]acetamide
CID 5399990
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6864653
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(2,4-dichlorophenyl)methylideneamino]acetamide
CID 1363976
2-(1H-benzimidazol-2-ylsulfanyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 6865120
2-(1H-benzimidazol-2-ylsulfanyl)-N-[[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 1242863

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide (CID 680651) is 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide is O=C(CSc1nc2ccccc2[nH]1)NN=C1CCCCC1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide?
The InChIKey is MEUFWUBEVGWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c20-14(19-18-11-6-2-1-3-7-11)10-21-15-16-12-8-4-5-9-13(12)17-15/h4-5,8-9H,1-3,6-7,10H2,(H,16,17)(H,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide?
2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide has a molecular weight of 302.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanyl)-N-(cyclohexylideneamino)acetamide is sourced from PubChem (CID 680651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).