N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide

C13H20N4O2S — CID 67703012

IUPACN-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide
SMILESCCn1c(=NNS(C)(=O)=O)n(C(C)C)c2ccccc21
InChIInChI=1S/C13H20N4O2S/c1-5-16-11-8-6-7-9-12(11)17(10(2)3)13(16)14-15-20(4,18)19/h6-10,15H,5H2,1-4H3
InChIKeyGASDULHEWKHSAA-UHFFFAOYSA-N
MW296.40 g/mol
LogP1.41
Rot. Bonds4

About N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide

N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide (PubChem CID 67703012) has the molecular formula C13H20N4O2S and a molecular weight of 296.40 g/mol. Its IUPAC name is N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide.

Molecular Properties

Compound NameN-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide
PubChem CID67703012
Molecular FormulaC13H20N4O2S
Molecular Weight296.40 g/mol
Exact Mass296.13
IUPAC NameN-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide
SMILESCCn1c(=NNS(C)(=O)=O)n(C(C)C)c2ccccc21
InChIInChI=1S/C13H20N4O2S/c1-5-16-11-8-6-7-9-12(11)17(10(2)3)13(16)14-15-20(4,18)19/h6-10,15H,5H2,1-4H3
InChIKeyGASDULHEWKHSAA-UHFFFAOYSA-N
XLogP1.41
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 51.41
H-Bond Donors ≤ 51
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 N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide?
The IUPAC name of N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide (CID 67703012) is N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide.
What is the SMILES notation for N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide?
The canonical SMILES for N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide is CCn1c(=NNS(C)(=O)=O)n(C(C)C)c2ccccc21.
What is the InChIKey of N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide?
The InChIKey is GASDULHEWKHSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2S/c1-5-16-11-8-6-7-9-12(11)17(10(2)3)13(16)14-15-20(4,18)19/h6-10,15H,5H2,1-4H3.
What are the key properties of N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide?
N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide has a molecular weight of 296.40 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-propan-2-ylbenzimidazol-2-ylidene)amino]methanesulfonamide is sourced from PubChem (CID 67703012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).