N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide

C24H21N3 — CID 145105527

IUPACN'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide
SMILESC=N/C(=N\Cc1ccccc1)c1cccc(-n2cc(C)c3ccccc32)c1
InChIInChI=1S/C24H21N3/c1-18-17-27(23-14-7-6-13-22(18)23)21-12-8-11-20(15-21)24(25-2)26-16-19-9-4-3-5-10-19/h3-15,17H,2,16H2,1H3/b26-24-
InChIKeyJNEUBBRHIHAHOY-LCUIJRPUSA-N
MW351.45 g/mol
LogP5.59
Rot. Bonds4

About N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide

N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide (PubChem CID 145105527) has the molecular formula C24H21N3 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide
PubChem CID145105527
Molecular FormulaC24H21N3
Molecular Weight351.45 g/mol
Exact Mass351.17
IUPAC NameN'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide
SMILESC=N/C(=N\Cc1ccccc1)c1cccc(-n2cc(C)c3ccccc32)c1
InChIInChI=1S/C24H21N3/c1-18-17-27(23-14-7-6-13-22(18)23)21-12-8-11-20(15-21)24(25-2)26-16-19-9-4-3-5-10-19/h3-15,17H,2,16H2,1H3/b26-24-
InChIKeyJNEUBBRHIHAHOY-LCUIJRPUSA-N
XLogP5.59
TPSA29.65 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.45
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide 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

N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(9-phenylcarbazol-2-yl)carbazol-9-yl]benzenecarboximidamide
CID 170137559
N'-benzyl-N-methylidenebenzenecarboximidamide;N-[[3-[9-[3-(9-phenylcarbazol-3-yl)phenyl]carbazol-2-yl]phenyl]methyl]methanimine
CID 145358373
N'-benzyl-N-[1-(3-carbazol-9-ylphenyl)ethylidene]-3-methyl-4-phenylbenzenecarboximidamide
CID 154664219
1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]-3-methylindole
CID 121429810
N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide
CID 145291848
N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane
CID 142505018
N'-benzyl-3-(3-dibenzofuran-1-ylcarbazol-9-yl)-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 170130884
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-8-[3-(3-phenylcarbazol-9-yl)phenyl]dibenzofuran-3-carboximidamide
CID 155002394
N'-[N-[[3-(7,7-dimethylindeno[2,1-b]carbazol-5-yl)phenyl]methyl]-C-phenylcarbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142519466
N'-benzyl-3-[3-[3-[(3E,5Z)-hepta-3,5-dien-3-yl]phenyl]phenyl]-N-methylidenebenzenecarboximidamide
CID 145212078
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[5-(2-methylphenyl)-6-propan-2-ylbenzo[c]phenoxazin-7-yl]benzenecarboximidamide
CID 145109977

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide?
The IUPAC name of N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide (CID 145105527) is N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide.
What is the SMILES notation for N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide?
The canonical SMILES for N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide is C=N/C(=N\Cc1ccccc1)c1cccc(-n2cc(C)c3ccccc32)c1.
What is the InChIKey of N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide?
The InChIKey is JNEUBBRHIHAHOY-LCUIJRPUSA-N. The full InChI is InChI=1S/C24H21N3/c1-18-17-27(23-14-7-6-13-22(18)23)21-12-8-11-20(15-21)24(25-2)26-16-19-9-4-3-5-10-19/h3-15,17H,2,16H2,1H3/b26-24-.
What are the key properties of N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide?
N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide has a molecular weight of 351.45 g/mol, XLogP of 5.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide is sourced from PubChem (CID 145105527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).