1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea

C16H13BrN4O2 — CID 135443504

IUPAC1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
SMILESCn1c(O)c(/N=N/C(=O)Nc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C16H13BrN4O2/c1-21-13-5-3-2-4-12(13)14(15(21)22)19-20-16(23)18-11-8-6-10(17)7-9-11/h2-9,22H,1H3,(H,18,23)/b20-19+
InChIKeyVZGVLIJJBXGZOR-FMQUCBEESA-N
MW373.21 g/mol
LogP4.96
Rot. Bonds2

About 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea

1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea (PubChem CID 135443504) has the molecular formula C16H13BrN4O2 and a molecular weight of 373.21 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
PubChem CID135443504
Molecular FormulaC16H13BrN4O2
Molecular Weight373.21 g/mol
Exact Mass372.02
IUPAC Name1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
SMILESCn1c(O)c(/N=N/C(=O)Nc2ccc(Br)cc2)c2ccccc21
InChIInChI=1S/C16H13BrN4O2/c1-21-13-5-3-2-4-12(13)14(15(21)22)19-20-16(23)18-11-8-6-10(17)7-9-11/h2-9,22H,1H3,(H,18,23)/b20-19+
InChIKeyVZGVLIJJBXGZOR-FMQUCBEESA-N
XLogP4.96
TPSA78.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.21
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea 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-(4-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443748
1-(2-chlorophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135495300
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
1-[2-hydroxy-1-methyl-5-(trifluoromethoxy)indol-3-yl]imino-3-phenylurea
CID 139245061
(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(2-methylanilino)acetamide
CID 3371203
4-bromo-N-(2-hydroxy-1-propylindol-3-yl)iminobenzamide
CID 4001444
4-bromo-N-(2-hydroxy-1,5-dimethylindol-3-yl)iminobenzamide
CID 1035611
1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
CID 135529719
1-(2-hydroxy-1-methylindol-3-yl)imino-3-(3-sulfamoylphenyl)thiourea
CID 137215388

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea?
The IUPAC name of 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea (CID 135443504) is 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea?
The canonical SMILES for 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea is Cn1c(O)c(/N=N/C(=O)Nc2ccc(Br)cc2)c2ccccc21.
What is the InChIKey of 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea?
The InChIKey is VZGVLIJJBXGZOR-FMQUCBEESA-N. The full InChI is InChI=1S/C16H13BrN4O2/c1-21-13-5-3-2-4-12(13)14(15(21)22)19-20-16(23)18-11-8-6-10(17)7-9-11/h2-9,22H,1H3,(H,18,23)/b20-19+.
What are the key properties of 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea?
1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea has a molecular weight of 373.21 g/mol, XLogP of 4.96, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea is sourced from PubChem (CID 135443504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).