N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide

C24H18N4 — CID 142223642

IUPACN-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1cccc2ccccc12
InChIInChI=1S/C24H18N4/c25-24(27-26)17-12-13-23-21(14-17)20-10-3-4-11-22(20)28(23)15-18-8-5-7-16-6-1-2-9-19(16)18/h1-14,25-26H,15H2/b25-24-,27-26+
InChIKeyMUUAVGSEDHEGAQ-RNDSACKQSA-N
MW362.44 g/mol
LogP6.35
Rot. Bonds3

About N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide

N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide (PubChem CID 142223642) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide.

Molecular Properties

Compound NameN-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
PubChem CID142223642
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC NameN-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide
SMILES[H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1cccc2ccccc12
InChIInChI=1S/C24H18N4/c25-24(27-26)17-12-13-23-21(14-17)20-10-3-4-11-22(20)28(23)15-18-8-5-7-16-6-1-2-9-19(16)18/h1-14,25-26H,15H2/b25-24-,27-26+
InChIKeyMUUAVGSEDHEGAQ-RNDSACKQSA-N
XLogP6.35
TPSA64.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 56.35
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'}

Analyze N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-benzyl-N-iminocarbazole-3-carboximidamide
CID 142911388
9-[[3,5-bis(trifluoromethyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 142223631
9-[(4-cyanophenyl)methyl]-N-iminocarbazole-3-carboximidamide
CID 142938444
9-[[4-(4-ethoxyphenyl)phenyl]methyl]-N-iminocarbazole-3-carboximidamide
CID 163863733
9-[(2-chlorophenyl)methyl]-N-hydrazinylidenecarbazole-3-carboximidamide
CID 142223725
9-[(2-methylphenyl)methyl]carbazole-3-carboximidamide
CID 142911316
(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
N'-diazenyl-9-[(2-fluorophenyl)methyl]carbazole-3-carboximidamide
CID 142911278
9-[(3-chlorophenyl)methyl]carbazole-3-carboximidamide
CID 142911101
N-imino-1-[(3-methoxyphenyl)methyl]indole-5-carboximidamide
CID 142223775

Frequently Asked Questions

What is the IUPAC name of N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide?
The IUPAC name of N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide (CID 142223642) is N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide.
What is the SMILES notation for N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide?
The canonical SMILES for N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide is [H]/N=C(\N=N\[H])c1ccc2c(c1)c1ccccc1n2Cc1cccc2ccccc12.
What is the InChIKey of N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide?
The InChIKey is MUUAVGSEDHEGAQ-RNDSACKQSA-N. The full InChI is InChI=1S/C24H18N4/c25-24(27-26)17-12-13-23-21(14-17)20-10-3-4-11-22(20)28(23)15-18-8-5-7-16-6-1-2-9-19(16)18/h1-14,25-26H,15H2/b25-24-,27-26+.
What are the key properties of N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide?
N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide has a molecular weight of 362.44 g/mol, XLogP of 6.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-9-(naphthalen-1-ylmethyl)carbazole-3-carboximidamide is sourced from PubChem (CID 142223642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).