N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole

C22H22N4 — CID 143165525

IUPACN-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole
SMILESCc1ccc(Cn2c3ccccc3c3ccccc32)cc1.[H]/N=N/C(C)=N/[H]
InChIInChI=1S/C20H17N.C2H5N3/c1-15-10-12-16(13-11-15)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;1-2(3)5-4/h2-13H,14H2,1H3;3-4H,1H3/b;3-2+,5-4+
InChIKeyOGNNPSQBDYVSQJ-PLKIVWSFSA-N
MW342.45 g/mol
LogP6.17
Rot. Bonds2

About N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole

N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole (PubChem CID 143165525) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole.

Molecular Properties

Compound NameN-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole
PubChem CID143165525
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC NameN-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole
SMILESCc1ccc(Cn2c3ccccc3c3ccccc32)cc1.[H]/N=N/C(C)=N/[H]
InChIInChI=1S/C20H17N.C2H5N3/c1-15-10-12-16(13-11-15)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;1-2(3)5-4/h2-13H,14H2,1H3;3-4H,1H3/b;3-2+,5-4+
InChIKeyOGNNPSQBDYVSQJ-PLKIVWSFSA-N
XLogP6.17
TPSA64.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.45
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
9-[(4-cyanophenyl)methyl]-N-iminocarbazole-3-carboximidamide
CID 142938444
9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 163863733
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
9-[(4-chlorophenyl)methyl]carbazole
CID 15206746
3-methyl-1-[(4-methylphenyl)methyl]indole-2-carboxylic acid
CID 83969302
9-[(4-tert-butylphenyl)methyl]carbazole
CID 154964214
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
9-[[4-[(3,6-dimethylcarbazol-9-yl)methyl]phenyl]methyl]-3,6-dimethylcarbazole
CID 58883537
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
CID 142223642
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101

Frequently Asked Questions

What is the IUPAC name of N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole?
The IUPAC name of N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole (CID 143165525) is N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole.
What is the SMILES notation for N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole?
The canonical SMILES for N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole is Cc1ccc(Cn2c3ccccc3c3ccccc32)cc1.[H]/N=N/C(C)=N/[H].
What is the InChIKey of N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole?
The InChIKey is OGNNPSQBDYVSQJ-PLKIVWSFSA-N. The full InChI is InChI=1S/C20H17N.C2H5N3/c1-15-10-12-16(13-11-15)14-21-19-8-4-2-6-17(19)18-7-3-5-9-20(18)21;1-2(3)5-4/h2-13H,14H2,1H3;3-4H,1H3/b;3-2+,5-4+.
What are the key properties of N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole?
N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole has a molecular weight of 342.45 g/mol, XLogP of 6.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole is sourced from PubChem (CID 143165525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).