N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide

C22H20N2O2 — CID 136928051

IUPACN',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide
SMILESC=CCc1cc(-c2ccccc2)c(-c2ccccc2)c(/C(N)=N/O)c1O
InChIInChI=1S/C22H20N2O2/c1-2-9-17-14-18(15-10-5-3-6-11-15)19(16-12-7-4-8-13-16)20(21(17)25)22(23)24-26/h2-8,10-14,25-26H,1,9H2,(H2,23,24)
InChIKeySNBBTFFRYZDXBA-UHFFFAOYSA-N
MW344.41 g/mol
LogP4.55
Rot. Bonds5

About N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide

N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide (PubChem CID 136928051) has the molecular formula C22H20N2O2 and a molecular weight of 344.41 g/mol. Its IUPAC name is N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide.

Molecular Properties

Compound NameN',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide
PubChem CID136928051
Molecular FormulaC22H20N2O2
Molecular Weight344.41 g/mol
Exact Mass344.15
IUPAC NameN',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide
SMILESC=CCc1cc(-c2ccccc2)c(-c2ccccc2)c(/C(N)=N/O)c1O
InChIInChI=1S/C22H20N2O2/c1-2-9-17-14-18(15-10-5-3-6-11-15)19(16-12-7-4-8-13-16)20(21(17)25)22(23)24-26/h2-8,10-14,25-26H,1,9H2,(H2,23,24)
InChIKeySNBBTFFRYZDXBA-UHFFFAOYSA-N
XLogP4.55
TPSA78.84 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide?
The IUPAC name of N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide (CID 136928051) is N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide.
What is the SMILES notation for N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide?
The canonical SMILES for N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide is C=CCc1cc(-c2ccccc2)c(-c2ccccc2)c(/C(N)=N/O)c1O.
What is the InChIKey of N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide?
The InChIKey is SNBBTFFRYZDXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O2/c1-2-9-17-14-18(15-10-5-3-6-11-15)19(16-12-7-4-8-13-16)20(21(17)25)22(23)24-26/h2-8,10-14,25-26H,1,9H2,(H2,23,24).
What are the key properties of N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide?
N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide has a molecular weight of 344.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dihydroxy-5,6-diphenyl-3-prop-2-enylbenzenecarboximidamide is sourced from PubChem (CID 136928051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).