3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide

C13H18N4OS — CID 134824089

IUPAC3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide
SMILESCCCSc1nc2ccccc2n1CCC(=O)NN
InChIInChI=1S/C13H18N4OS/c1-2-9-19-13-15-10-5-3-4-6-11(10)17(13)8-7-12(18)16-14/h3-6H,2,7-9,14H2,1H3,(H,16,18)
InChIKeyGOPKHWKRKLTLJS-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.92
Rot. Bonds6

About 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide

3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide (PubChem CID 134824089) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide.

Molecular Properties

Compound Name3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide
PubChem CID134824089
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide
SMILESCCCSc1nc2ccccc2n1CCC(=O)NN
InChIInChI=1S/C13H18N4OS/c1-2-9-19-13-15-10-5-3-4-6-11(10)17(13)8-7-12(18)16-14/h3-6H,2,7-9,14H2,1H3,(H,16,18)
InChIKeyGOPKHWKRKLTLJS-UHFFFAOYSA-N
XLogP1.92
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methylbenzimidazol-1-yl)propanehydrazide
CID 4738084
2-(2-propylsulfanylbenzimidazol-1-yl)acetic acid
CID 2772432
2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 84601695
2-(2-butylsulfanylbenzimidazol-1-yl)acetic acid
CID 2772433
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133770
N-(4-acetamidophenyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774742
N-(ethylcarbamoyl)-2-(1-pentylbenzimidazol-2-yl)sulfanylacetamide
CID 112774728
5-(3-methyl-2-oxoquinoxalin-1-yl)pentanehydrazide
CID 63578367
[2-(cyclopropylamino)-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate
CID 7133796
2-[[2-(1-hexylbenzimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 7173153
2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide
CID 16505827
N-ethyl-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylacetamide
CID 16505804

Frequently Asked Questions

What is the IUPAC name of 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide?
The IUPAC name of 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide (CID 134824089) is 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide.
What is the SMILES notation for 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide?
The canonical SMILES for 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide is CCCSc1nc2ccccc2n1CCC(=O)NN.
What is the InChIKey of 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide?
The InChIKey is GOPKHWKRKLTLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-2-9-19-13-15-10-5-3-4-6-11(10)17(13)8-7-12(18)16-14/h3-6H,2,7-9,14H2,1H3,(H,16,18).
What are the key properties of 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide?
3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide has a molecular weight of 278.38 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propylsulfanylbenzimidazol-1-yl)propanehydrazide is sourced from PubChem (CID 134824089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).