1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea

C15H17N5O — CID 143111767

IUPAC1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea
SMILES[H]/N=C(\N)c1cccc(NC(=O)Nc2cccc(CN)c2)c1
InChIInChI=1S/C15H17N5O/c16-9-10-3-1-5-12(7-10)19-15(21)20-13-6-2-4-11(8-13)14(17)18/h1-8H,9,16H2,(H3,17,18)(H2,19,20,21)
InChIKeyRODXTEFEZCPSBL-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.07
Rot. Bonds4

About 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea

1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea (PubChem CID 143111767) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea.

Molecular Properties

Compound Name1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea
PubChem CID143111767
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC Name1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea
SMILES[H]/N=C(\N)c1cccc(NC(=O)Nc2cccc(CN)c2)c1
InChIInChI=1S/C15H17N5O/c16-9-10-3-1-5-12(7-10)19-15(21)20-13-6-2-4-11(8-13)14(17)18/h1-8H,9,16H2,(H3,17,18)(H2,19,20,21)
InChIKeyRODXTEFEZCPSBL-UHFFFAOYSA-N
XLogP2.07
TPSA117.02 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)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-[3-(aminomethyl)phenyl]-3-phenylurea;hydrochloride
CID 47003161
1-[3-(aminomethyl)phenyl]-3-iminourea
CID 143272667
3-[3-[(3-carbamimidoylbenzoyl)amino]phenyl]propanoic acid
CID 70098656
1-[4-[benzyl(sulfamoyl)sulfamoyl]phenyl]-3-(3-carbamimidoylphenyl)urea
CID 91539665
3-(aminomethyl)-N-(3-carbamoylphenyl)benzamide
CID 102978279
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075
1-[3-(aminomethyl)phenyl]-3-(4-methylphenyl)urea
CID 43245991
1-[3-(aminomethyl)phenyl]-3-(3,4-dichlorophenyl)urea
CID 63254565
1-[4-[benzyl(trifluoromethyl)sulfamoyl]phenyl]-3-(3-carbamimidoylphenyl)urea
CID 91369220
1-(3-carbamimidoylphenyl)-3-[1-[(4-carbamimidoylphenyl)methyl]cycloheptyl]urea
CID 18630705
1-(3-carbamimidoylphenyl)-3-(1-methylindol-5-yl)urea;hydroiodide
CID 67768152
1-[3-(aminomethyl)phenyl]-3-(dimethylamino)urea
CID 83017155

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea?
The IUPAC name of 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea (CID 143111767) is 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea.
What is the SMILES notation for 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea?
The canonical SMILES for 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea is [H]/N=C(\N)c1cccc(NC(=O)Nc2cccc(CN)c2)c1.
What is the InChIKey of 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea?
The InChIKey is RODXTEFEZCPSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c16-9-10-3-1-5-12(7-10)19-15(21)20-13-6-2-4-11(8-13)14(17)18/h1-8H,9,16H2,(H3,17,18)(H2,19,20,21).
What are the key properties of 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea?
1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea has a molecular weight of 283.34 g/mol, XLogP of 2.07, 4 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)phenyl]-3-(3-carbamimidoylphenyl)urea is sourced from PubChem (CID 143111767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).