1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide

C13H13N5O4S — CID 18092858

IUPAC1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N5O4S/c1-18-6-2-3-11(18)12(19)16-17-23(21,22)8-4-5-9-10(7-8)15-13(20)14-9/h2-7,17H,1H3,(H,16,19)(H2,14,15,20)
InChIKeyQYKRZFAHJIKYQU-UHFFFAOYSA-N
MW335.35 g/mol
LogP-0.18
Rot. Bonds4

About 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide

1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide (PubChem CID 18092858) has the molecular formula C13H13N5O4S and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide
PubChem CID18092858
Molecular FormulaC13H13N5O4S
Molecular Weight335.35 g/mol
Exact Mass335.07
IUPAC Name1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C13H13N5O4S/c1-18-6-2-3-11(18)12(19)16-17-23(21,22)8-4-5-9-10(7-8)15-13(20)14-9/h2-7,17H,1H3,(H,16,19)(H2,14,15,20)
InChIKeyQYKRZFAHJIKYQU-UHFFFAOYSA-N
XLogP-0.18
TPSA128.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide?
The IUPAC name of 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide (CID 18092858) is 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide is Cn1cccc1C(=O)NNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide?
The InChIKey is QYKRZFAHJIKYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O4S/c1-18-6-2-3-11(18)12(19)16-17-23(21,22)8-4-5-9-10(7-8)15-13(20)14-9/h2-7,17H,1H3,(H,16,19)(H2,14,15,20).
What are the key properties of 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide?
1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide has a molecular weight of 335.35 g/mol, XLogP of -0.18, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]pyrrole-2-carbohydrazide is sourced from PubChem (CID 18092858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).