1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine

C16H15N5O — CID 135529719

IUPAC1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
SMILESCn1c(O)c(/N=N/C(N)=N/c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N5O/c1-21-13-10-6-5-9-12(13)14(15(21)22)19-20-16(17)18-11-7-3-2-4-8-11/h2-10,22H,1H3,(H2,17,18)/b20-19+
InChIKeyMYYFQLYGSQEZIJ-FMQUCBEESA-N
MW293.33 g/mol
LogP3.61
Rot. Bonds2

About 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine

1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine (PubChem CID 135529719) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine.

Molecular Properties

Compound Name1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
PubChem CID135529719
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine
SMILESCn1c(O)c(/N=N/C(N)=N/c2ccccc2)c2ccccc21
InChIInChI=1S/C16H15N5O/c1-21-13-10-6-5-9-12(13)14(15(21)22)19-20-16(17)18-11-7-3-2-4-8-11/h2-10,22H,1H3,(H2,17,18)/b20-19+
InChIKeyMYYFQLYGSQEZIJ-FMQUCBEESA-N
XLogP3.61
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.61
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'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2-hydroxy-1-methylindol-3-yl)iminothiourea;hydrate
CID 137263545
2-anilino-N-(2-hydroxy-1-methylindol-3-yl)iminoacetamide
CID 135951883
N-(2-hydroxy-1-methylindol-3-yl)imino-3-phenylpropanamide
CID 966588
1-methyl-3-[(4-methylquinolin-2-yl)diazenyl]indol-2-ol
CID 135982575
1-(2-hydroxy-1-methylindol-3-yl)imino-3-(2-phenylethyl)thiourea
CID 135597183
2-[(2-hydroxy-1-methylindol-3-yl)diazenyl]benzoic acid
CID 3388118
N-(2-hydroxy-1-methylindol-3-yl)imino-2,2-diphenylcyclopropane-1-carboxamide
CID 3821867
N-(2-hydroxy-1-methylindol-3-yl)imino-2-(4-iodophenoxy)acetamide
CID 1138559
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
1,1-dibutyl-3-(2-hydroxy-1-methylindol-3-yl)iminothiourea
CID 20685
1-(4-bromophenyl)-3-(2-hydroxy-1-methylindol-3-yl)iminourea
CID 135443504

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine?
The IUPAC name of 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine (CID 135529719) is 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine.
What is the SMILES notation for 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine?
The canonical SMILES for 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine is Cn1c(O)c(/N=N/C(N)=N/c2ccccc2)c2ccccc21.
What is the InChIKey of 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine?
The InChIKey is MYYFQLYGSQEZIJ-FMQUCBEESA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-13-10-6-5-9-12(13)14(15(21)22)19-20-16(17)18-11-7-3-2-4-8-11/h2-10,22H,1H3,(H2,17,18)/b20-19+.
What are the key properties of 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine?
1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine has a molecular weight of 293.33 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-1-methylindol-3-yl)imino-2-phenylguanidine is sourced from PubChem (CID 135529719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).