1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide

C15H16N4O3S — CID 1242528

IUPAC1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NNc3ccccc3)ccc21
InChIInChI=1S/C15H16N4O3S/c1-18-13-9-8-12(10-14(13)19(2)15(18)20)23(21,22)17-16-11-6-4-3-5-7-11/h3-10,16-17H,1-2H3
InChIKeyXNDAEPWBEBAJIR-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.18
Rot. Bonds4

About 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide

1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide (PubChem CID 1242528) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide.

Molecular Properties

Compound Name1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide
PubChem CID1242528
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide
SMILESCn1c(=O)n(C)c2cc(S(=O)(=O)NNc3ccccc3)ccc21
InChIInChI=1S/C15H16N4O3S/c1-18-13-9-8-12(10-14(13)19(2)15(18)20)23(21,22)17-16-11-6-4-3-5-7-11/h3-10,16-17H,1-2H3
InChIKeyXNDAEPWBEBAJIR-UHFFFAOYSA-N
XLogP1.18
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide?
The IUPAC name of 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide (CID 1242528) is 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide.
What is the SMILES notation for 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide?
The canonical SMILES for 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide is Cn1c(=O)n(C)c2cc(S(=O)(=O)NNc3ccccc3)ccc21.
What is the InChIKey of 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide?
The InChIKey is XNDAEPWBEBAJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-18-13-9-8-12(10-14(13)19(2)15(18)20)23(21,22)17-16-11-6-4-3-5-7-11/h3-10,16-17H,1-2H3.
What are the key properties of 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide?
1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide has a molecular weight of 332.39 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-2-oxo-N'-phenylbenzimidazole-5-sulfonohydrazide is sourced from PubChem (CID 1242528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).