N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide

C23H23N3 — CID 144751102

IUPACN'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)C1C=C(C)C=CC1)c1ccccc1
InChIInChI=1S/C23H23N3/c1-18-10-9-15-21(16-18)23(25-17-19-11-5-3-6-12-19)26-22(24-2)20-13-7-4-8-14-20/h3-14,16,21H,2,15,17H2,1H3/b25-23-,26-22-
InChIKeySCIPRBOKBIQJOZ-DMSNGARESA-N
MW341.46 g/mol
LogP5.25
Rot. Bonds4

About N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide

N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide (PubChem CID 144751102) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide.

Molecular Properties

Compound NameN'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide
PubChem CID144751102
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide
SMILESC=N/C(=N\C(=N/Cc1ccccc1)C1C=C(C)C=CC1)c1ccccc1
InChIInChI=1S/C23H23N3/c1-18-10-9-15-21(16-18)23(25-17-19-11-5-3-6-12-19)26-22(24-2)20-13-7-4-8-14-20/h3-14,16,21H,2,15,17H2,1H3/b25-23-,26-22-
InChIKeySCIPRBOKBIQJOZ-DMSNGARESA-N
XLogP5.25
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

N'-(N-benzyl-C-methylcarbonimidoyl)-N-methylidenebenzenecarboximidamide;ethane
CID 144831026
N'-benzyl-N-[(methylideneamino)-phenylmethylidene]-3-[3-(3-methylphenyl)phenyl]benzenecarboximidamide
CID 142293920
N'-[N-benzyl-C-[(3E,5Z)-hepta-1,3,5-trien-3-yl]carbonimidoyl]-N-methylidenebenzenecarboximidamide
CID 142515878
N'-benzyl-4-dibenzofuran-3-yl-N-[(methylideneamino)-phenylmethylidene]benzenecarboximidamide
CID 146395700
N-methylidene-N'-[C-methyl-N-(naphthalen-1-ylmethyl)carbonimidoyl]benzenecarboximidamide
CID 145442525
N'-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylidenebenzenecarboximidamide
CID 144816078
N-benzylmethanimine;ethane;N-methylidene-N'-(naphthalen-1-ylmethyl)benzenecarboximidamide
CID 145291848
4-cyclohexa-1,5-dien-1-yl-N-methylidene-N'-[(4-phenylphenyl)methyl]benzenecarboximidamide
CID 145265295
N'-benzyl-N-methylidene-3-(3-methylindol-1-yl)benzenecarboximidamide
CID 145105527
N-benzylmethanimine;5-methyl-N-methylidene-N'-[N-[[4-[1-[4-[N-methylidene-N'-(naphthalen-1-ylmethyl)carbamimidoyl]phenyl]cyclohexyl]phenyl]methyl]-C-phenylcarbonimidoyl]cyclodeca-1,3,5,7,9-pentaene-1-carboximidamide
CID 145073500
N'-benzyl-N-methylidenedibenzofuran-2-carboximidamide;chloromethane
CID 142505018
N'-(N-benzyl-C-phenylcarbonimidoyl)-N-methylidene-3,10,20-triazaheptacyclo[15.11.0.02,10.04,9.011,16.019,27.021,26]octacosa-1(17),2,4,6,8,11,13,15,18,21,23,25,27-tridecaene-20-carboximidamide
CID 144705384

Frequently Asked Questions

What is the IUPAC name of N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The IUPAC name of N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide (CID 144751102) is N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide.
What is the SMILES notation for N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The canonical SMILES for N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide is C=N/C(=N\C(=N/Cc1ccccc1)C1C=C(C)C=CC1)c1ccccc1.
What is the InChIKey of N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide?
The InChIKey is SCIPRBOKBIQJOZ-DMSNGARESA-N. The full InChI is InChI=1S/C23H23N3/c1-18-10-9-15-21(16-18)23(25-17-19-11-5-3-6-12-19)26-22(24-2)20-13-7-4-8-14-20/h3-14,16,21H,2,15,17H2,1H3/b25-23-,26-22-.
What are the key properties of N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide?
N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide has a molecular weight of 341.46 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[N-benzyl-C-(3-methylcyclohexa-2,4-dien-1-yl)carbonimidoyl]-N-methylidenebenzenecarboximidamide is sourced from PubChem (CID 144751102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).