1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea

C15H13IN4O — CID 59023753

IUPAC1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C15H13IN4O/c16-14-12-8-11(6-7-13(12)19-20-14)18-15(21)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)(H2,17,18,21)
InChIKeyVYFHYSBFIRQOEE-UHFFFAOYSA-N
MW392.20 g/mol
LogP3.49
Rot. Bonds3

About 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea

1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea (PubChem CID 59023753) has the molecular formula C15H13IN4O and a molecular weight of 392.20 g/mol. Its IUPAC name is 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea.

Molecular Properties

Compound Name1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea
PubChem CID59023753
Molecular FormulaC15H13IN4O
Molecular Weight392.20 g/mol
Exact Mass392.01
IUPAC Name1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea
SMILESO=C(NCc1ccccc1)Nc1ccc2n[nH]c(I)c2c1
InChIInChI=1S/C15H13IN4O/c16-14-12-8-11(6-7-13(12)19-20-14)18-15(21)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)(H2,17,18,21)
InChIKeyVYFHYSBFIRQOEE-UHFFFAOYSA-N
XLogP3.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(3-iodo-2H-indazol-5-yl)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

N-[(3-iodo-2H-indazol-5-yl)methyl]benzamide
CID 67451670
1-benzyl-3-(9H-carbazol-3-yl)urea
CID 118398507
1-benzyl-3-[2-(4-chlorophenyl)-4-methoxyquinolin-6-yl]urea
CID 50827654
methyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827652
1-(4-anilinophenyl)-3-benzylurea
CID 24664594
1-(1,3-benzoxazol-5-yl)-3-benzylurea
CID 110748624
ethyl 2-[6-(benzylcarbamoylamino)-2-(4-fluorophenyl)quinolin-4-yl]oxyacetate
CID 50827545
1-[(4-fluorophenyl)methyl]-3-(4-morpholin-4-yl-2-phenylquinolin-6-yl)urea
CID 50836351
ethyl 2-[6-[(4-fluorophenyl)methylcarbamoylamino]-2-phenylquinolin-4-yl]oxyacetate
CID 46385090
1-benzyl-3-[4-(methanesulfonamido)phenyl]urea
CID 32521055
1-(3-amino-1H-indazol-5-yl)-3-[(3-fluorophenyl)methyl]urea
CID 25009850
1-benzyl-3-(3-propanoylphenyl)urea
CID 141242249

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea?
The IUPAC name of 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea (CID 59023753) is 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea.
What is the SMILES notation for 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea?
The canonical SMILES for 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea is O=C(NCc1ccccc1)Nc1ccc2n[nH]c(I)c2c1.
What is the InChIKey of 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea?
The InChIKey is VYFHYSBFIRQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IN4O/c16-14-12-8-11(6-7-13(12)19-20-14)18-15(21)17-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,19,20)(H2,17,18,21).
What are the key properties of 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea?
1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea has a molecular weight of 392.20 g/mol, XLogP of 3.49, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3-iodo-2H-indazol-5-yl)urea is sourced from PubChem (CID 59023753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).