N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide

C22H17BrN2 — CID 130393856

IUPACN-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\C=C\Br)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H17BrN2/c23-16-15-21(25-22(24)20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16,24H/b16-15+,24-22+,25-21+
InChIKeyUXFZKMNOWJPDQK-BYHWNSBMSA-N
MW389.30 g/mol
LogP6.08
Rot. Bonds4

About N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide

N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide (PubChem CID 130393856) has the molecular formula C22H17BrN2 and a molecular weight of 389.30 g/mol. Its IUPAC name is N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide.

Molecular Properties

Compound NameN-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide
PubChem CID130393856
Molecular FormulaC22H17BrN2
Molecular Weight389.30 g/mol
Exact Mass388.06
IUPAC NameN-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide
SMILES[H]/N=C(/N=C(\C=C\Br)c1ccc(-c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C22H17BrN2/c23-16-15-21(25-22(24)20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16,24H/b16-15+,24-22+,25-21+
InChIKeyUXFZKMNOWJPDQK-BYHWNSBMSA-N
XLogP6.08
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.30
LogP ≤ 56.08
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-[(E)-3-[2-(3,6-diphenylcarbazol-9-yl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-1-phenylprop-2-enylidene]benzenecarboximidamide
CID 137421136
methyl N-(benzenecarboximidoyl)benzenecarboximidothioate
CID 10491182
N-[[chloro(methyl)amino]-phenylmethylidene]benzenecarboximidamide
CID 154939185
N-[(E)-3-[4-(9,9-dimethylfluoren-4-yl)naphthalen-1-yl]-1-(3,5-diphenylphenyl)prop-2-enylidene]benzenecarboximidamide
CID 176835010
N-[amino(phenyl)methylidene]-4-(2-cyanophenyl)benzenecarboximidamide
CID 142469905
N-[[butan-2-yl(methyl)amino]-phenylmethylidene]benzenecarboximidamide
CID 146664852
N'-(3,5-diphenylbenzenecarboximidoyl)carbamimidoyl chloride
CID 156530281
N-[(E)-3-dibenzofuran-3-yl-1-phenylprop-2-enylidene]-3,5-diphenyl-4-(3-phenylcarbazol-9-yl)benzenecarboximidamide
CID 167403647
N-[(E)-1-[3-dibenzothiophen-1-yl-5-(4-naphthalen-1-ylphenyl)phenyl]-3-phenylprop-2-enylidene]benzenecarboximidamide
CID 171583410
[N-(benzenecarboximidoyl)-C-pyridin-2-ylcarbonimidoyl]azanide
CID 163838886
N'-(benzenecarboximidoyl)benzenecarboximidamide;1-bromo-3-methylbenzene
CID 142324241
(Z)-4-N'-(benzenecarboximidoyl)-1-N'-[(4-methylphenyl)methyl]but-2-enediimidamide
CID 142915800

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide?
The IUPAC name of N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide (CID 130393856) is N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide.
What is the SMILES notation for N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide?
The canonical SMILES for N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide is [H]/N=C(/N=C(\C=C\Br)c1ccc(-c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide?
The InChIKey is UXFZKMNOWJPDQK-BYHWNSBMSA-N. The full InChI is InChI=1S/C22H17BrN2/c23-16-15-21(25-22(24)20-9-5-2-6-10-20)19-13-11-18(12-14-19)17-7-3-1-4-8-17/h1-16,24H/b16-15+,24-22+,25-21+.
What are the key properties of N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide?
N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide has a molecular weight of 389.30 g/mol, XLogP of 6.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3-bromo-1-(4-phenylphenyl)prop-2-enylidene]benzenecarboximidamide is sourced from PubChem (CID 130393856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).