CID 164584881

C17H19N2Po — CID 164584881

IUPAC—
SMILESC[Po].Cc1ccc(/N=C/C=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2.CH3.Po/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;;/h3-12H,1-2H3;1H3;/b17-11+,18-12+;;
InChIKeyPCOYMHKBIXEMCK-SNTCFBDDSA-N
MW460.35 g/mol
LogP4.61
Rot. Bonds3

About CID 164584881

CID 164584881 (PubChem CID 164584881) has the molecular formula C17H19N2Po and a molecular weight of 460.35 g/mol.

Molecular Properties

Compound NameCID 164584881
PubChem CID164584881
Molecular FormulaC17H19N2Po
Molecular Weight460.35 g/mol
Exact Mass460.14
IUPAC Name—
SMILESC[Po].Cc1ccc(/N=C/C=N/c2ccc(C)cc2)cc1
InChIInChI=1S/C16H16N2.CH3.Po/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;;/h3-12H,1-2H3;1H3;/b17-11+,18-12+;;
InChIKeyPCOYMHKBIXEMCK-SNTCFBDDSA-N
XLogP4.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.35
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze CID 164584881 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylphenyl)but-2-en-1-imine
CID 71345693
N,1-bis(4-methylphenyl)methanimine
CID 525721
N-(4-methylphenyl)-1-[4-[(4-methylphenyl)iminomethyl]phenyl]methanimine
CID 1284722
bis(4-methylphenyl)diazene
CID 10389
N-(4-methylphenyl)nonan-1-imine
CID 10998858
dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)
CID 50933370
tetrakis((4-methylphenyl)-[(4-methylphenyl)iminomethyl]azanide);bis(molybdenum(2+))
CID 11105141
N-(4-bromophenyl)-1-(4-methylphenyl)methanimine
CID 525717
N-methyl-N'-phenylethane-1,2-diimine
CID 21014566
cobalt(3+);1-[4-methyl-6-[(4-methylphenyl)iminomethyl]-2-pyridinyl]-N-(4-methylphenyl)methanimine;trichloride
CID 70014254
5-(4-methylphenyl)iminopent-2-enal
CID 57164496
2-[(4-methylphenyl)iminomethyl]phenolate
CID 140586343

Frequently Asked Questions

What is the IUPAC name of CID 164584881?
The IUPAC name of CID 164584881 (CID 164584881) is not available.
What is the SMILES notation for CID 164584881?
The canonical SMILES for CID 164584881 is C[Po].Cc1ccc(/N=C/C=N/c2ccc(C)cc2)cc1.
What is the InChIKey of CID 164584881?
The InChIKey is PCOYMHKBIXEMCK-SNTCFBDDSA-N. The full InChI is InChI=1S/C16H16N2.CH3.Po/c1-13-3-7-15(8-4-13)17-11-12-18-16-9-5-14(2)6-10-16;;/h3-12H,1-2H3;1H3;/b17-11+,18-12+;;.
What are the key properties of CID 164584881?
CID 164584881 has a molecular weight of 460.35 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 164584881 is sourced from PubChem (CID 164584881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).