2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide

C13H12N4O2S — CID 63581694

IUPAC2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O2S/c14-17-12(18)8-5-6-19-11(8)7-20-13-15-9-3-1-2-4-10(9)16-13/h1-6H,7,14H2,(H,15,16)(H,17,18)
InChIKeyZHHWFFVQTDCRHS-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.05
Rot. Bonds4

About 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide

2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide (PubChem CID 63581694) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
PubChem CID63581694
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC Name2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
SMILESNNC(=O)c1ccoc1CSc1nc2ccccc2[nH]1
InChIInChI=1S/C13H12N4O2S/c14-17-12(18)8-5-6-19-11(8)7-20-13-15-9-3-1-2-4-10(9)16-13/h1-6H,7,14H2,(H,15,16)(H,17,18)
InChIKeyZHHWFFVQTDCRHS-UHFFFAOYSA-N
XLogP2.05
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
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

2-(1,3-benzothiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581699
methyl 2-[(5,6-dimethyl-1H-benzimidazol-2-yl)sulfanylmethyl]furan-3-carboxylate
CID 69457914
2-(1H-benzimidazol-2-ylsulfanylmethyl)benzoic acid
CID 2484010
2-(1,3,4-thiadiazol-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581538
N-[2-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24647425
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 55371844
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methylfuran-2-carbohydrazide
CID 29410900
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-[3-(carbamoylamino)phenyl]benzamide
CID 55539810
2-(pyrazin-2-ylsulfanylmethyl)furan-3-carbohydrazide
CID 63581132
2-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(3-hydroxypropyl)benzamide
CID 78796351
N-(2-amino-2-ethylbutyl)-2-(1H-benzimidazol-2-ylsulfanylmethyl)benzamide
CID 119641397
[6-(1H-benzimidazol-2-ylsulfanylmethyl)-5-chloro-2-pyridinyl]hydrazine
CID 62887222

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The IUPAC name of 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide (CID 63581694) is 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The canonical SMILES for 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide is NNC(=O)c1ccoc1CSc1nc2ccccc2[nH]1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
The InChIKey is ZHHWFFVQTDCRHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c14-17-12(18)8-5-6-19-11(8)7-20-13-15-9-3-1-2-4-10(9)16-13/h1-6H,7,14H2,(H,15,16)(H,17,18).
What are the key properties of 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide?
2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide has a molecular weight of 288.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylsulfanylmethyl)furan-3-carbohydrazide is sourced from PubChem (CID 63581694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).