5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one

C9H13N5O — CID 115260667

IUPAC5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CNN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H13N5O/c1-14(5-11-10)6-2-3-7-8(4-6)13-9(15)12-7/h2-4,11H,5,10H2,1H3,(H2,12,13,15)
InChIKeyRJDWWLAIBBLPGE-UHFFFAOYSA-N
MW207.24 g/mol
LogP-0.29
Rot. Bonds3

About 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one

5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115260667) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
PubChem CID115260667
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
SMILESCN(CNN)c1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C9H13N5O/c1-14(5-11-10)6-2-3-7-8(4-6)13-9(15)12-7/h2-4,11H,5,10H2,1H3,(H2,12,13,15)
InChIKeyRJDWWLAIBBLPGE-UHFFFAOYSA-N
XLogP-0.29
TPSA89.94 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-[3-aminopropyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 82494084
5-[methyl(2,2,2-trifluoroethyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 115257804
5-[(4-amino-2-hydroxybutyl)-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 117039136
1-methyl-1-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115168271
5-[[1-(aminomethyl)cyclobutyl]methyl-methylamino]-1,3-dihydrobenzimidazol-2-one
CID 115245729
methyl 3-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-3-oxopropanoate
CID 115174253
ethyl 2-[methyl-(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]-2-oxoacetate
CID 115141927
5-[N-methyl-3-(methylamino)anilino]-1,3-dihydrobenzimidazol-2-one
CID 117041078
5-(didodecylamino)-1,3-dihydrobenzimidazol-2-one
CID 52913034
N,2-dimethyl-2-(methylamino)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115165676
2-hydroxy-N,2-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 115178687
N,N-dimethyl-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 22745221

Frequently Asked Questions

What is the IUPAC name of 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one (CID 115260667) is 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one is CN(CNN)c1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is RJDWWLAIBBLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-14(5-11-10)6-2-3-7-8(4-6)13-9(15)12-7/h2-4,11H,5,10H2,1H3,(H2,12,13,15).
What are the key properties of 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one?
5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 207.24 g/mol, XLogP of -0.29, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydrazinylmethyl(methyl)amino]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115260667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).