5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide

C12H16N4S — CID 54965649

IUPAC5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide
SMILES[H]/N=C(\N)CCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4S/c13-11(14)7-3-4-8-17-12-15-9-5-1-2-6-10(9)16-12/h1-2,5-6H,3-4,7-8H2,(H3,13,14)(H,15,16)
InChIKeyGDWSGVUVAHSNGZ-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.76
Rot. Bonds6

About 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide

5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide (PubChem CID 54965649) has the molecular formula C12H16N4S and a molecular weight of 248.36 g/mol. Its IUPAC name is 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide.

Molecular Properties

Compound Name5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide
PubChem CID54965649
Molecular FormulaC12H16N4S
Molecular Weight248.36 g/mol
Exact Mass248.11
IUPAC Name5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide
SMILES[H]/N=C(\N)CCCCSc1nc2ccccc2[nH]1
InChIInChI=1S/C12H16N4S/c13-11(14)7-3-4-8-17-12-15-9-5-1-2-6-10(9)16-12/h1-2,5-6H,3-4,7-8H2,(H3,13,14)(H,15,16)
InChIKeyGDWSGVUVAHSNGZ-UHFFFAOYSA-N
XLogP2.76
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[8-(1H-benzimidazol-2-ylsulfanyl)octylsulfanyl]-1H-benzimidazole
CID 13134043
8-(1H-benzimidazol-2-ylsulfanyl)octan-1-ol
CID 22675439
6-(1H-benzimidazol-2-ylsulfanyl)hexanoic acid
CID 46784599
2-pentylsulfanyl-1H-benzimidazole;hydrobromide
CID 171154912
2-octadecylsulfanyl-1H-benzimidazole;hydrobromide
CID 54609164
2-(1H-benzimidazol-2-ylsulfanyl)ethanamine;hydrochloride
CID 86262361
2-[5-(1H-benzimidazol-2-yl)pentylsulfanyl]-1H-benzimidazole
CID 20685286
3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
CID 60913000
4-(1H-benzimidazol-2-ylsulfanyl)-N-hydroxybutanamide
CID 165347848
3-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 720877
3-(1H-benzimidazol-2-ylsulfanyl)propyl-trimethylazanium;bromide;hydrobromide
CID 5351691
5-(1H-benzimidazol-2-ylsulfanyl)pentan-2-amine
CID 64621123

Frequently Asked Questions

What is the IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide?
The IUPAC name of 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide (CID 54965649) is 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide.
What is the SMILES notation for 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide?
The canonical SMILES for 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide is [H]/N=C(\N)CCCCSc1nc2ccccc2[nH]1.
What is the InChIKey of 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide?
The InChIKey is GDWSGVUVAHSNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4S/c13-11(14)7-3-4-8-17-12-15-9-5-1-2-6-10(9)16-12/h1-2,5-6H,3-4,7-8H2,(H3,13,14)(H,15,16).
What are the key properties of 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide?
5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide has a molecular weight of 248.36 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide is sourced from PubChem (CID 54965649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).