9-benzyl-N-iminocarbazole-3-carboximidamide

C20H16N4 — CID 142911388

IUPAC9-benzyl-N-iminocarbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C20H16N4/c21-20(23-22)15-10-11-19-17(12-15)16-8-4-5-9-18(16)24(19)13-14-6-2-1-3-7-14/h1-12,21-22H,13H2/b21-20-,23-22+
InChIKeyCIVDMIUYNOUDTA-CQARIBONSA-N
MW312.38 g/mol
LogP5.20
Rot. Bonds3

About 9-benzyl-N-iminocarbazole-3-carboximidamide

9-benzyl-N-iminocarbazole-3-carboximidamide (PubChem CID 142911388) has the molecular formula C20H16N4 and a molecular weight of 312.38 g/mol. Its IUPAC name is 9-benzyl-N-iminocarbazole-3-carboximidamide.

Molecular Properties

Compound Name9-benzyl-N-iminocarbazole-3-carboximidamide
PubChem CID142911388
Molecular FormulaC20H16N4
Molecular Weight312.38 g/mol
Exact Mass312.14
IUPAC Name9-benzyl-N-iminocarbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1ccccc1
InChIInChI=1S/C20H16N4/c21-20(23-22)15-10-11-19-17(12-15)16-8-4-5-9-18(16)24(19)13-14-6-2-1-3-7-14/h1-12,21-22H,13H2/b21-20-,23-22+
InChIKeyCIVDMIUYNOUDTA-CQARIBONSA-N
XLogP5.20
TPSA64.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.20
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-[(4-cyanophenyl)methyl]-N-iminocarbazole-3-carboximidamide
CID 142938444
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
CID 142223642
9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 163863733
(2S)-2-[[4-[[3-(N-iminocarbamimidoyl)carbazol-9-yl]methyl]benzoyl]amino]-4-oxobutanoic acid
CID 142938369
(2S)-2-[[4-[[3-(N-iminocarbamimidoyl)carbazol-9-yl]methyl]benzoyl]amino]-4-oxobutanoic acid;methanol
CID 142938368
N-hydrazinylidene-9-[[4-(1-hydroxyethenyl)phenyl]methyl]carbazole-3-carboximidamide
CID 142938962
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725
N-iminoethanimidamide;9-[(4-methylphenyl)methyl]carbazole
CID 143165525
N'-diazenyl-9-[(3-methoxyphenyl)methyl]carbazole-3-carboximidamide
CID 154537128
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307

Frequently Asked Questions

What is the IUPAC name of 9-benzyl-N-iminocarbazole-3-carboximidamide?
The IUPAC name of 9-benzyl-N-iminocarbazole-3-carboximidamide (CID 142911388) is 9-benzyl-N-iminocarbazole-3-carboximidamide.
What is the SMILES notation for 9-benzyl-N-iminocarbazole-3-carboximidamide?
The canonical SMILES for 9-benzyl-N-iminocarbazole-3-carboximidamide is [H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1ccccc1.
What is the InChIKey of 9-benzyl-N-iminocarbazole-3-carboximidamide?
The InChIKey is CIVDMIUYNOUDTA-CQARIBONSA-N. The full InChI is InChI=1S/C20H16N4/c21-20(23-22)15-10-11-19-17(12-15)16-8-4-5-9-18(16)24(19)13-14-6-2-1-3-7-14/h1-12,21-22H,13H2/b21-20-,23-22+.
What are the key properties of 9-benzyl-N-iminocarbazole-3-carboximidamide?
9-benzyl-N-iminocarbazole-3-carboximidamide has a molecular weight of 312.38 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-benzyl-N-iminocarbazole-3-carboximidamide is sourced from PubChem (CID 142911388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).