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

C10H14N4O — CID 115195337

IUPAC5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNCCNCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H14N4O/c11-3-4-12-6-7-1-2-8-9(5-7)14-10(15)13-8/h1-2,5,12H,3-4,6,11H2,(H2,13,14,15)
InChIKeyBZDSLPHIJUZCLL-UHFFFAOYSA-N
MW206.25 g/mol
LogP-0.10
Rot. Bonds4

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

5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 115195337) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
PubChem CID115195337
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
SMILESNCCNCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H14N4O/c11-3-4-12-6-7-1-2-8-9(5-7)14-10(15)13-8/h1-2,5,12H,3-4,6,11H2,(H2,13,14,15)
InChIKeyBZDSLPHIJUZCLL-UHFFFAOYSA-N
XLogP-0.10
TPSA86.70 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 5-0.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(aminomethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115225769
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271
5-[(2-aminoethylamino)methyl]-3H-1,3-benzoxazol-2-one
CID 115195344
5-[(2-oxopropylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115234767
5-[(piperazin-1-ylmethylamino)methyl]-1,3-dihydrobenzimidazol-2-one
CID 115230015
1-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)methylamino]methyl]cyclobutane-1-carbonitrile
CID 115245288
5-[2-(3-hydroxypropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115217079
5-[2-[3-(methylamino)propylamino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115198026
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 115192948
5-[2-[(2-amino-2-methylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115136177
5-(fluoromethyl)-1,3-dihydrobenzimidazol-2-one
CID 70140559
5-[[(5-oxo-2-phenylpyrrolidin-2-yl)methylamino]methyl]-1,3-dihydrobenzimidazol-2-one
CID 166291024

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one (CID 115195337) is 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one is NCCNCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is BZDSLPHIJUZCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c11-3-4-12-6-7-1-2-8-9(5-7)14-10(15)13-8/h1-2,5,12H,3-4,6,11H2,(H2,13,14,15).
What are the key properties of 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one?
5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 206.25 g/mol, XLogP of -0.10, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-aminoethylamino)methyl]-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 115195337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).