N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide

C25H22N2 — CID 3345579

IUPACN,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
SMILESCc1ccc(/N=C(\Nc2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H22N2/c1-18-10-14-21(15-11-18)26-25(27-22-16-12-19(2)13-17-22)24-9-5-7-20-6-3-4-8-23(20)24/h3-17H,1-2H3,(H,26,27)
InChIKeyLCKGQJOEHXQJOZ-UHFFFAOYSA-N
MW350.47 g/mol
LogP6.65
Rot. Bonds3

About N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide

N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide (PubChem CID 3345579) has the molecular formula C25H22N2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide.

Molecular Properties

Compound NameN,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
PubChem CID3345579
Molecular FormulaC25H22N2
Molecular Weight350.47 g/mol
Exact Mass350.18
IUPAC NameN,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide
SMILESCc1ccc(/N=C(\Nc2ccc(C)cc2)c2cccc3ccccc23)cc1
InChIInChI=1S/C25H22N2/c1-18-10-14-21(15-11-18)26-25(27-22-16-12-19(2)13-17-22)24-9-5-7-20-6-3-4-8-23(20)24/h3-17H,1-2H3,(H,26,27)
InChIKeyLCKGQJOEHXQJOZ-UHFFFAOYSA-N
XLogP6.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.47
LogP ≤ 56.65
H-Bond Donors ≤ 51
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-(4-methoxyphenyl)-N'-(4-nitrophenyl)naphthalene-1-carboximidamide;hydrochloride
CID 163339593
2-chloro-N-(4-methoxyphenyl)-N'-(4-methylphenyl)benzenecarboximidamide;hydrochloride
CID 163339871
N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 135574728
Selenourea, N,N'-bis(4-methylphenyl)-
CID 6329260
(2-naphthalen-1-yl-2-oxoethyl) 4-[(4-methylbenzoyl)amino]benzoate
CID 126184955
ethyl 4-[[C-(2-chlorophenyl)-N-(4-ethoxycarbonylphenyl)carbonimidoyl]amino]benzoate
CID 15734501
2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide
CID 6859027
dimethyl(oxan-4-yl)azanium;N-(4-methylphenyl)naphthalene-1-carboxamide
CID 143173959
N-[2-[[2-(4-methylanilino)-2-oxoethyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-1-carboxamide
CID 3430377
(4-methylphenyl)-naphthalen-1-yldiazene
CID 20700715
N-(2,5-dimethylphenyl)naphthalene-1-carboxamide
CID 1278696
2-[[2-(4-methylanilino)-2-oxoethyl]-naphthalen-1-ylamino]-N-(4-methylphenyl)acetamide
CID 2382881

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide?
The IUPAC name of N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide (CID 3345579) is N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide.
What is the SMILES notation for N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide?
The canonical SMILES for N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide is Cc1ccc(/N=C(\Nc2ccc(C)cc2)c2cccc3ccccc23)cc1.
What is the InChIKey of N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide?
The InChIKey is LCKGQJOEHXQJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2/c1-18-10-14-21(15-11-18)26-25(27-22-16-12-19(2)13-17-22)24-9-5-7-20-6-3-4-8-23(20)24/h3-17H,1-2H3,(H,26,27).
What are the key properties of N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide?
N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide has a molecular weight of 350.47 g/mol, XLogP of 6.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methylphenyl)naphthalene-1-carboximidamide is sourced from PubChem (CID 3345579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).