N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide

C22H20N2O — CID 122401846

IUPACN'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide
SMILESC/N=C(/Nc1c2c(c3ccccc3c1C)C(=O)CC2)c1ccccc1
InChIInChI=1S/C22H20N2O/c1-14-16-10-6-7-11-17(16)20-18(12-13-19(20)25)21(14)24-22(23-2)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKeyRHJAUOITTAQYPS-UHFFFAOYSA-N
MW328.42 g/mol
LogP4.77
Rot. Bonds2

About N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide

N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide (PubChem CID 122401846) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide
PubChem CID122401846
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC NameN'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide
SMILESC/N=C(/Nc1c2c(c3ccccc3c1C)C(=O)CC2)c1ccccc1
InChIInChI=1S/C22H20N2O/c1-14-16-10-6-7-11-17(16)20-18(12-13-19(20)25)21(14)24-22(23-2)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H,23,24)
InChIKeyRHJAUOITTAQYPS-UHFFFAOYSA-N
XLogP4.77
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-4-[(Z)-2-sulfanylprop-1-enyl]-2,3-dihydrocyclopenta[a]naphthalen-1-one
CID 177465331
N'-methyl-N-(2-propan-2-ylphenyl)benzenecarboximidamide
CID 8007615
9,10-bis(2,4,6-trimethylanilino)-2,3-dihydroanthracene-1,4-dione
CID 11134566
[chloro-[(N-methyl-C-phenylcarbonimidoyl)amino]methylidene]-dimethylazanium
CID 10381571
N'-methyl-N-(2-methylpyrazol-3-yl)benzenecarboximidamide
CID 121015575
3-amino-2-(N-methyl-C-phenylcarbonimidoyl)cyclohex-2-en-1-one
CID 134426579
9,10,14,15-tetramethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene
CID 59561091
N'-(benzenesulfonyl)-N-(4-hydroxy-2,3,5,6-tetramethylphenyl)benzenecarboximidamide
CID 134879097
N-acridin-9-ylbenzamide
CID 40532924
9-(hydroxyamino)-3,4-dihydro-2H-acridin-1-one
CID 54496209
N-(5-tert-butyl-2-methylphenyl)sulfonyl-N'-methylbenzenecarboximidamide
CID 3789425
5,8-dimethyl-6,7-dihydroquinolino[3,2-c]acridine;5,8-diphenyl-6,7-dihydroquinolino[3,2-c]acridine
CID 158548153

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide?
The IUPAC name of N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide (CID 122401846) is N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide.
What is the SMILES notation for N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide?
The canonical SMILES for N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide is C/N=C(/Nc1c2c(c3ccccc3c1C)C(=O)CC2)c1ccccc1.
What is the InChIKey of N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide?
The InChIKey is RHJAUOITTAQYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-14-16-10-6-7-11-17(16)20-18(12-13-19(20)25)21(14)24-22(23-2)15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H,23,24).
What are the key properties of N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide?
N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide has a molecular weight of 328.42 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(5-methyl-1-oxo-2,3-dihydrocyclopenta[a]naphthalen-4-yl)benzenecarboximidamide is sourced from PubChem (CID 122401846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).