1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea

C10H13N5O2 — CID 115192948

IUPAC1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
SMILESNNC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N5O2/c11-15-9(16)12-4-3-6-1-2-7-8(5-6)14-10(17)13-7/h1-2,5H,3-4,11H2,(H2,12,15,16)(H2,13,14,17)
InChIKeyJUEVQHQTTSPHPA-UHFFFAOYSA-N
MW235.25 g/mol
LogP-0.43
Rot. Bonds3

About 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea

1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea (PubChem CID 115192948) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
PubChem CID115192948
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
SMILESNNC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1
InChIInChI=1S/C10H13N5O2/c11-15-9(16)12-4-3-6-1-2-7-8(5-6)14-10(17)13-7/h1-2,5H,3-4,11H2,(H2,12,15,16)(H2,13,14,17)
InChIKeyJUEVQHQTTSPHPA-UHFFFAOYSA-N
XLogP-0.43
TPSA115.80 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 5-0.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea
CID 110776173
1-cyano-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]formamide
CID 115172542
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-phenylacetamide
CID 110791178
2-(4-methylphenyl)-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]acetamide
CID 110791217
4-fluoro-N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]benzamide
CID 110791167
2-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanehydrazide
CID 116848655
1-amino-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)urea
CID 115192410
N-(2-aminoethyl)-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)acetamide
CID 82496271
5-[2-(3-hydroxypropylamino)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115217079
N-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110791177
5-[2-[(2-amino-2-methylpropyl)amino]ethyl]-1,3-dihydrobenzimidazol-2-one
CID 115136177
methyl 3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanoate
CID 22745227

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The IUPAC name of 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea (CID 115192948) is 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The canonical SMILES for 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea is NNC(=O)NCCc1ccc2[nH]c(=O)[nH]c2c1.
What is the InChIKey of 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
The InChIKey is JUEVQHQTTSPHPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-15-9(16)12-4-3-6-1-2-7-8(5-6)14-10(17)13-7/h1-2,5H,3-4,11H2,(H2,12,15,16)(H2,13,14,17).
What are the key properties of 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea?
1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea has a molecular weight of 235.25 g/mol, XLogP of -0.43, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)ethyl]urea is sourced from PubChem (CID 115192948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).