N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride

C21H21ClN2O2 — CID 3027142

IUPACN,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride
SMILESCOc1ccc(/N=C(/Nc2ccc(OC)cc2)c2ccccc2)cc1.Cl
InChIInChI=1S/C21H20N2O2.ClH/c1-24-19-12-8-17(9-13-19)22-21(16-6-4-3-5-7-16)23-18-10-14-20(25-2)15-11-18;/h3-15H,1-2H3,(H,22,23);1H
InChIKeyQJFFQGJYTPOYPR-UHFFFAOYSA-N
MW368.86 g/mol
LogP5.32
Rot. Bonds5

About N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride

N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride (PubChem CID 3027142) has the molecular formula C21H21ClN2O2 and a molecular weight of 368.86 g/mol. Its IUPAC name is N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride.

Molecular Properties

Compound NameN,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride
PubChem CID3027142
Molecular FormulaC21H21ClN2O2
Molecular Weight368.86 g/mol
Exact Mass368.13
IUPAC NameN,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride
SMILESCOc1ccc(/N=C(/Nc2ccc(OC)cc2)c2ccccc2)cc1.Cl
InChIInChI=1S/C21H20N2O2.ClH/c1-24-19-12-8-17(9-13-19)22-21(16-6-4-3-5-7-16)23-18-10-14-20(25-2)15-11-18;/h3-15H,1-2H3,(H,22,23);1H
InChIKeyQJFFQGJYTPOYPR-UHFFFAOYSA-N
XLogP5.32
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.86
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Phenacaine
CID 7588
1-(2-Amidinophenyl)-3-(Phenoxyphenyl)Urea
CID 444581
N,N'-diphenyl-4-methoxybenzamidine
CID 467231
Phenacaine Hydrochloride
CID 12113
(4Z)-1-(4-methoxyphenyl)-4-(phenylimino)-1,3-diazaspiro[4.5]decane-2-thione
CID 1514935
N,N'-(1,4-Phenylenedimethylidyne)DI-P-anisidine
CID 4294941
4-Amino-1-[4-(benzyloxy)phenyl]-6,6-dimethyl-1,6-dihydro-1,3,5-triazin-2-ylamine
CID 10448877
N-(4-Benzyloxy-phenyl)-N''-(4-butyl-phenyl)-guanidine
CID 10809379
3-(4-Methoxyphenyl)-2-phenylquinazolin-4-imine
CID 122226451
1-(4-ethoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702629
1-(4-methoxyphenyl)-N,4-diphenylazetidin-2-imine
CID 126702637
4-(4-iodophenyl)-1-(4-methoxyphenyl)-N-phenylazetidin-2-imine
CID 126702783

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride?
The IUPAC name of N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride (CID 3027142) is N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride.
What is the SMILES notation for N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride?
The canonical SMILES for N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride is COc1ccc(/N=C(/Nc2ccc(OC)cc2)c2ccccc2)cc1.Cl.
What is the InChIKey of N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride?
The InChIKey is QJFFQGJYTPOYPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2.ClH/c1-24-19-12-8-17(9-13-19)22-21(16-6-4-3-5-7-16)23-18-10-14-20(25-2)15-11-18;/h3-15H,1-2H3,(H,22,23);1H.
What are the key properties of N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride?
N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride has a molecular weight of 368.86 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-methoxyphenyl)benzenecarboximidamide;hydrochloride is sourced from PubChem (CID 3027142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).