sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one

C10H13N2NaO — CID 173432403

IUPACsodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one
SMILESC=C(C)N1C(=O)NC2CC=CC=C21.[H-].[Na+]
InChIInChI=1S/C10H12N2O.Na.H/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;;/h3-4,6,8H,1,5H2,2H3,(H,11,13);;/q;+1;-1
InChIKeyUEXKSTFKLBHESC-UHFFFAOYSA-N
MW200.22 g/mol
LogP-1.13
Rot. Bonds1

About sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one

sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one (PubChem CID 173432403) has the molecular formula C10H13N2NaO and a molecular weight of 200.22 g/mol. Its IUPAC name is sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one.

Molecular Properties

Compound Namesodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one
PubChem CID173432403
Molecular FormulaC10H13N2NaO
Molecular Weight200.22 g/mol
Exact Mass200.09
IUPAC Namesodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one
SMILESC=C(C)N1C(=O)NC2CC=CC=C21.[H-].[Na+]
InChIInChI=1S/C10H12N2O.Na.H/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;;/h3-4,6,8H,1,5H2,2H3,(H,11,13);;/q;+1;-1
InChIKeyUEXKSTFKLBHESC-UHFFFAOYSA-N
XLogP-1.13
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.22
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one?
The IUPAC name of sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one (CID 173432403) is sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one.
What is the SMILES notation for sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one?
The canonical SMILES for sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one is C=C(C)N1C(=O)NC2CC=CC=C21.[H-].[Na+].
What is the InChIKey of sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one?
The InChIKey is UEXKSTFKLBHESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O.Na.H/c1-7(2)12-9-6-4-3-5-8(9)11-10(12)13;;/h3-4,6,8H,1,5H2,2H3,(H,11,13);;/q;+1;-1.
What are the key properties of sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one?
sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one has a molecular weight of 200.22 g/mol, XLogP of -1.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;3-prop-1-en-2-yl-7,7a-dihydro-1H-benzimidazol-2-one is sourced from PubChem (CID 173432403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).