9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide

C20H16ClN5 — CID 142223725

IUPAC9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1Cl
InChIInChI=1S/C20H16ClN5/c21-17-7-3-1-5-14(17)12-26-18-8-4-2-6-15(18)16-11-13(9-10-19(16)26)20(22)24-25-23/h1-11H,12H2,(H3,22,23,24)
InChIKeyBQAVMIAGXGVUNJ-UHFFFAOYSA-N
MW361.84 g/mol
LogP5.15
Rot. Bonds3

About 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide

9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide (PubChem CID 142223725) has the molecular formula C20H16ClN5 and a molecular weight of 361.84 g/mol. Its IUPAC name is 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide.

Molecular Properties

Compound Name9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
PubChem CID142223725
Molecular FormulaC20H16ClN5
Molecular Weight361.84 g/mol
Exact Mass361.11
IUPAC Name9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1Cl
InChIInChI=1S/C20H16ClN5/c21-17-7-3-1-5-14(17)12-26-18-8-4-2-6-15(18)16-11-13(9-10-19(16)26)20(22)24-25-23/h1-11H,12H2,(H3,22,23,24)
InChIKeyBQAVMIAGXGVUNJ-UHFFFAOYSA-N
XLogP5.15
TPSA79.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.84
LogP ≤ 55.15
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
9-[(4-cyanophenyl)methyl]-N-iminocarbazole-3-carboximidamide
CID 142938444
N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
CID 142911278
acetylene;ethane;9-[(2Z,4Z)-3-ethyl-2-methylhexa-2,4-dienyl]-N-hydrazinylidenecarbazole-3-carboximidamide;(2Z,5Z)-6-methylocta-2,5-diene
CID 142938767
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 163863733
[(aminodiazenyl)-[9-[(2,4,6-trimethylphenyl)methyl]carbazol-3-yl]methylidene]azanium
CID 142938701
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307

Frequently Asked Questions

What is the IUPAC name of 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide?
The IUPAC name of 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide (CID 142223725) is 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide.
What is the SMILES notation for 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide?
The canonical SMILES for 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide is [H]/N=C(\N=N\N)c1ccc2c(c1)c1ccccc1n2Cc1ccccc1Cl.
What is the InChIKey of 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide?
The InChIKey is BQAVMIAGXGVUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5/c21-17-7-3-1-5-14(17)12-26-18-8-4-2-6-15(18)16-11-13(9-10-19(16)26)20(22)24-25-23/h1-11H,12H2,(H3,22,23,24).
What are the key properties of 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide?
9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide has a molecular weight of 361.84 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide is sourced from PubChem (CID 142223725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).