N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide

C26H25N3O — CID 143292232

IUPACN'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide
SMILESCC/C=C1\C(Cc2ccc(/C(N)=N/N)cc2)=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C26H25N3O/c1-2-8-21-22-11-6-7-12-24(22)30-25(19-9-4-3-5-10-19)23(21)17-18-13-15-20(16-14-18)26(27)29-28/h3-16H,2,17,28H2,1H3,(H2,27,29)/b21-8-
InChIKeyCYZFVMFWFPYGFR-WNFQYIGGSA-N
MW395.51 g/mol
LogP5.11
Rot. Bonds5

About N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide

N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide (PubChem CID 143292232) has the molecular formula C26H25N3O and a molecular weight of 395.51 g/mol. Its IUPAC name is N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide
PubChem CID143292232
Molecular FormulaC26H25N3O
Molecular Weight395.51 g/mol
Exact Mass395.20
IUPAC NameN'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide
SMILESCC/C=C1\C(Cc2ccc(/C(N)=N/N)cc2)=C(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C26H25N3O/c1-2-8-21-22-11-6-7-12-24(22)30-25(19-9-4-3-5-10-19)23(21)17-18-13-15-20(16-14-18)26(27)29-28/h3-16H,2,17,28H2,1H3,(H2,27,29)/b21-8-
InChIKeyCYZFVMFWFPYGFR-WNFQYIGGSA-N
XLogP5.11
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.51
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-amino-4-(4-methylphenyl)benzenecarboximidamide
CID 6860627
N'-aminobenzenecarboximidamide
CID 5474957
benzyl-[(2Z)-2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium
CID 177388138
benzyl-[2-(3-methyl-2-phenylchromen-4-ylidene)-1-phenylethylidene]azanium perchlorate
CID 171154862
N'-amino-2-[4-(hydroxymethyl)phenyl]benzenecarboximidamide
CID 54093932
N'-[(1Z)-3-methyl-1-(2-phenylphenyl)buta-1,3-dienyl]benzenecarboximidamide
CID 138636529
(2Z)-2-propylidene-1,3-benzodioxin-4-one
CID 142022031
9-[bis(4-methylphenyl)methylidene]xanthene
CID 15914606
N'-(4-methylphenyl)sulfonyl-4-phenylbenzenecarboximidamide
CID 171485898
N'-amino-9-[(4-methylphenyl)methyl]carbazole-3-carboximidamide
CID 143271307
(1Z,3E)-5-[4-(8-methylnaphthalen-1-yl)phenyl]-1,3-diphenylpenta-1,3-dien-1-amine
CID 142425146
N'-amino-4-hydroxybenzenecarboximidamide
CID 135693195

Frequently Asked Questions

What is the IUPAC name of N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide?
The IUPAC name of N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide (CID 143292232) is N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide.
What is the SMILES notation for N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide?
The canonical SMILES for N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide is CC/C=C1\C(Cc2ccc(/C(N)=N/N)cc2)=C(c2ccccc2)Oc2ccccc21.
What is the InChIKey of N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide?
The InChIKey is CYZFVMFWFPYGFR-WNFQYIGGSA-N. The full InChI is InChI=1S/C26H25N3O/c1-2-8-21-22-11-6-7-12-24(22)30-25(19-9-4-3-5-10-19)23(21)17-18-13-15-20(16-14-18)26(27)29-28/h3-16H,2,17,28H2,1H3,(H2,27,29)/b21-8-.
What are the key properties of N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide?
N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide has a molecular weight of 395.51 g/mol, XLogP of 5.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-amino-4-[[(4E)-2-phenyl-4-propylidenechromen-3-yl]methyl]benzenecarboximidamide is sourced from PubChem (CID 143292232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).