3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide

C11H14N4S — CID 60913000

IUPAC3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N4S/c1-7(6-10(12)13)16-11-14-8-4-2-3-5-9(8)15-11/h2-5,7H,6H2,1H3,(H3,12,13)(H,14,15)
InChIKeyYYFIQFHPENLENI-UHFFFAOYSA-N
MW234.33 g/mol
LogP2.37
Rot. Bonds4

About 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide

3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide (PubChem CID 60913000) has the molecular formula C11H14N4S and a molecular weight of 234.33 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
PubChem CID60913000
Molecular FormulaC11H14N4S
Molecular Weight234.33 g/mol
Exact Mass234.09
IUPAC Name3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide
SMILES[H]/N=C(\N)CC(C)Sc1nc2ccccc2[nH]1
InChIInChI=1S/C11H14N4S/c1-7(6-10(12)13)16-11-14-8-4-2-3-5-9(8)15-11/h2-5,7H,6H2,1H3,(H3,12,13)(H,14,15)
InChIKeyYYFIQFHPENLENI-UHFFFAOYSA-N
XLogP2.37
TPSA78.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.33
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1H-benzimidazol-2-ylsulfanyl)pentanimidamide
CID 54965649
3-phenylsulfanylbutanimidamide
CID 60915236
2,3-bis(1H-benzimidazol-2-ylsulfanyl)-1-N',4-N'-dihydroxybutanediimidamide
CID 173429813
4-(1H-benzimidazol-2-ylsulfanyl)-N-ethylpentan-2-amine
CID 64703066
2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 591299
3-(2-fluorophenyl)sulfanylbutanimidamide
CID 60912658
2-(1H-benzimidazol-2-ylsulfanyl)-4-methylbenzenecarboximidamide
CID 62308177
2-[(2S)-2-methylbutyl]sulfanyl-1H-benzimidazole
CID 42135960
3-amino-2-(1H-benzimidazol-2-ylsulfanyl)propanoic acid
CID 64695466
2-(1H-benzimidazol-2-ylsulfanyl)-3-methylbutanehydrazide
CID 63581693
3-(4-methoxyphenyl)sulfanylbutanimidamide
CID 60913001
1-(1H-benzimidazol-2-ylsulfanyl)-N-methylpropan-2-amine
CID 64621315

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide?
The IUPAC name of 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide (CID 60913000) is 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide?
The canonical SMILES for 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide is [H]/N=C(\N)CC(C)Sc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide?
The InChIKey is YYFIQFHPENLENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4S/c1-7(6-10(12)13)16-11-14-8-4-2-3-5-9(8)15-11/h2-5,7H,6H2,1H3,(H3,12,13)(H,14,15).
What are the key properties of 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide?
3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide has a molecular weight of 234.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylsulfanyl)butanimidamide is sourced from PubChem (CID 60913000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).