N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide

C21H20N4 — CID 143271307

IUPACN'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
SMILESCc1ccc(Cn2c3ccccc3c3cc(/C(N)=N/N)ccc32)cc1
InChIInChI=1S/C21H20N4/c1-14-6-8-15(9-7-14)13-25-19-5-3-2-4-17(19)18-12-16(21(22)24-23)10-11-20(18)25/h2-12H,13,23H2,1H3,(H2,22,24)
InChIKeyZNTYESPOTQZFGZ-UHFFFAOYSA-N
MW328.42 g/mol
LogP3.73
Rot. Bonds3

About N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide

N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide (PubChem CID 143271307) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide.

Molecular Properties

Compound NameN'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
PubChem CID143271307
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC NameN'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
SMILESCc1ccc(Cn2c3ccccc3c3cc(/C(N)=N/N)ccc32)cc1
InChIInChI=1S/C21H20N4/c1-14-6-8-15(9-7-14)13-25-19-5-3-2-4-17(19)18-12-16(21(22)24-23)10-11-20(18)25/h2-12H,13,23H2,1H3,(H2,22,24)
InChIKeyZNTYESPOTQZFGZ-UHFFFAOYSA-N
XLogP3.73
TPSA69.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

acetic acid;2-[[3-[[3-[(Z)-C-aminocarbonohydrazonoyl]carbazol-9-yl]methyl]benzoyl]amino]acetic acid
CID 142911334
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole
CID 143165525
4-[[3-(2H-tetrazol-5-yl)carbazol-9-yl]methyl]benzamide
CID 91473451
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
[(aminodiazenyl)-[9-[(2,4,6-trimethylphenyl)methyl]carbazol-3-yl]methylidene]azanium
CID 142938701
9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
1-(4-methylphenyl)-N-phenyl-1-(9-propylcarbazol-3-yl)methanimine
CID 154349174
N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
CID 154537128
9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
CID 142938358

Frequently Asked Questions

What is the IUPAC name of N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide?
The IUPAC name of N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide (CID 143271307) is N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide.
What is the SMILES notation for N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide?
The canonical SMILES for N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide is Cc1ccc(Cn2c3ccccc3c3cc(/C(N)=N/N)ccc32)cc1.
What is the InChIKey of N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide?
The InChIKey is ZNTYESPOTQZFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-6-8-15(9-7-14)13-25-19-5-3-2-4-17(19)18-12-16(21(22)24-23)10-11-20(18)25/h2-12H,13,23H2,1H3,(H2,22,24).
What are the key properties of N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide?
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide has a molecular weight of 328.42 g/mol, XLogP of 3.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide is sourced from PubChem (CID 143271307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).