N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide

C21H19N5O — CID 154537128

IUPACN'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(c1)c1ccccc1n2Cc1cccc(OC)c1
InChIInChI=1S/C21H19N5O/c1-27-16-6-4-5-14(11-16)13-26-19-8-3-2-7-17(19)18-12-15(9-10-20(18)26)21(22)24-25-23/h2-12H,13H2,1H3,(H3,22,23,24)
InChIKeyDILOFSMDYAJHNG-UHFFFAOYSA-N
MW357.42 g/mol
LogP4.50
Rot. Bonds5

About N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide

N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide (PubChem CID 154537128) has the molecular formula C21H19N5O and a molecular weight of 357.42 g/mol. Its IUPAC name is N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide.

Molecular Properties

Compound NameN'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
PubChem CID154537128
Molecular FormulaC21H19N5O
Molecular Weight357.42 g/mol
Exact Mass357.16
IUPAC NameN'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
SMILES[H]/N=N/N=C(N)c1ccc2c(c1)c1ccccc1n2Cc1cccc(OC)c1
InChIInChI=1S/C21H19N5O/c1-27-16-6-4-5-14(11-16)13-26-19-8-3-2-7-17(19)18-12-15(9-10-20(18)26)21(22)24-25-23/h2-12H,13H2,1H3,(H3,22,23,24)
InChIKeyDILOFSMDYAJHNG-UHFFFAOYSA-N
XLogP4.50
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.42
LogP ≤ 54.50
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
CID 142911278
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
6-methoxy-9-[(3-methoxyphenyl)methyl]pyrido[3,4-b]indole
CID 134505246
9-[[3-(carbazol-9-ylmethyl)phenyl]methyl]carbazole
CID 67781407
3-bromo-1-[(3-methoxyphenyl)methyl]indole-2-carboxylic acid
CID 22310832
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid
CID 142911334
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
N-imino-1-[(3-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223775
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792

Frequently Asked Questions

What is the IUPAC name of N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide?
The IUPAC name of N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide (CID 154537128) is N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide.
What is the SMILES notation for N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide?
The canonical SMILES for N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide is [H]/N=N/N=C(N)c1ccc2c(c1)c1ccccc1n2Cc1cccc(OC)c1.
What is the InChIKey of N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide?
The InChIKey is DILOFSMDYAJHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O/c1-27-16-6-4-5-14(11-16)13-26-19-8-3-2-7-17(19)18-12-15(9-10-20(18)26)21(22)24-25-23/h2-12H,13H2,1H3,(H3,22,23,24).
What are the key properties of N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide?
N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide has a molecular weight of 357.42 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide is sourced from PubChem (CID 154537128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).