9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide

C21H19N3 — CID 142911316

IUPAC9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1C
InChIInChI=1S/C21H19N3/c1-14-6-2-3-7-16(14)13-24-19-9-5-4-8-17(19)18-12-15(21(22)23)10-11-20(18)24/h2-12H,13H2,1H3,(H3,22,23)
InChIKeyAULRFILBOBPYMR-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.44
Rot. Bonds3

About 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide

9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide (PubChem CID 142911316) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide.

Molecular Properties

Compound Name9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
PubChem CID142911316
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1C
InChIInChI=1S/C21H19N3/c1-14-6-2-3-7-16(14)13-24-19-9-5-4-8-17(19)18-12-15(21(22)23)10-11-20(18)24/h2-12H,13H2,1H3,(H3,22,23)
InChIKeyAULRFILBOBPYMR-UHFFFAOYSA-N
XLogP4.44
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
9-[[4-(2-cyanophenyl)phenyl]methyl]carbazole-3-carboximidamide;hydrazine
CID 142938358
N-benzyl-2-(3-carbamimidoylcarbazol-9-yl)-N-phenylacetamide
CID 142911045
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
CID 142223642
N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
CID 142911278
9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725
4-[(2-methylphenyl)methyl]benzenecarboximidamide
CID 54485744
9-[(2-methylphenyl)methyl]carbazole-2,7-diamine
CID 134294518
1-[(3-carbamimidoylphenyl)methyl]-4-methylindole-2-carboxamide
CID 10946700
9-[(2,5-dimethylphenyl)methyl]carbazole
CID 174908792
4-carbamimidoyl-N-(9-ethylcarbazol-2-yl)benzamide
CID 143165721
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962

Frequently Asked Questions

What is the IUPAC name of 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide?
The IUPAC name of 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide (CID 142911316) is 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide.
What is the SMILES notation for 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide?
The canonical SMILES for 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1C.
What is the InChIKey of 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide?
The InChIKey is AULRFILBOBPYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-14-6-2-3-7-16(14)13-24-19-9-5-4-8-17(19)18-12-15(21(22)23)10-11-20(18)24/h2-12H,13H2,1H3,(H3,22,23).
What are the key properties of 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide?
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide has a molecular weight of 313.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide is sourced from PubChem (CID 142911316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).