N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide

C20H20N4O3S — CID 42905169

IUPACN'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCO1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H20N4O3S/c25-18(23-24-19(26)17-6-3-11-27-17)14-9-7-13(8-10-14)12-28-20-21-15-4-1-2-5-16(15)22-20/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,21,22)(H,23,25)(H,24,26)
InChIKeyFPLPIZSGVSWGFV-UHFFFAOYSA-N
MW396.47 g/mol
LogP2.80
Rot. Bonds5

About N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide

N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide (PubChem CID 42905169) has the molecular formula C20H20N4O3S and a molecular weight of 396.47 g/mol. Its IUPAC name is N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide
PubChem CID42905169
Molecular FormulaC20H20N4O3S
Molecular Weight396.47 g/mol
Exact Mass396.13
IUPAC NameN'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide
SMILESO=C(NNC(=O)C1CCCO1)c1ccc(CSc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C20H20N4O3S/c25-18(23-24-19(26)17-6-3-11-27-17)14-9-7-13(8-10-14)12-28-20-21-15-4-1-2-5-16(15)22-20/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,21,22)(H,23,25)(H,24,26)
InChIKeyFPLPIZSGVSWGFV-UHFFFAOYSA-N
XLogP2.80
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.47
LogP ≤ 52.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(cyclohex-3-ene-1-carbonyl)benzohydrazide
CID 24513951
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-1,3-benzodioxole-5-carbohydrazide
CID 2088527
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-phenylbenzohydrazide
CID 78774579
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-5-methylfuran-2-carbohydrazide
CID 29410900
N'-[3-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoyl]-4-(1H-benzimidazol-2-ylsulfanylmethyl)benzohydrazide
CID 2412655
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-6-oxo-1H-pyridazine-3-carbohydrazide
CID 29410898
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N'-(4-phenylbutanoyl)benzohydrazide
CID 46472312
N'-(4-ethylbenzoyl)oxolane-2-carbohydrazide
CID 47099547
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-2-sulfanylidene-1H-pyridine-3-carbohydrazide
CID 18287085
N-[2-[2-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]hydrazinyl]-2-oxoethyl]furan-2-carboxamide
CID 24647425
4-acetyl-N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]-3,5-dimethyl-1H-pyrrole-2-carbohydrazide
CID 29410939
4-(1H-benzimidazol-2-ylsulfanylmethyl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 46559415

Frequently Asked Questions

What is the IUPAC name of N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide?
The IUPAC name of N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide (CID 42905169) is N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide.
What is the SMILES notation for N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide?
The canonical SMILES for N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide is O=C(NNC(=O)C1CCCO1)c1ccc(CSc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide?
The InChIKey is FPLPIZSGVSWGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3S/c25-18(23-24-19(26)17-6-3-11-27-17)14-9-7-13(8-10-14)12-28-20-21-15-4-1-2-5-16(15)22-20/h1-2,4-5,7-10,17H,3,6,11-12H2,(H,21,22)(H,23,25)(H,24,26).
What are the key properties of N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide?
N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide has a molecular weight of 396.47 g/mol, XLogP of 2.80, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(1H-benzimidazol-2-ylsulfanylmethyl)benzoyl]oxolane-2-carbohydrazide is sourced from PubChem (CID 42905169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).