2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide

C16H17N5 — CID 123822499

IUPAC2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide
SMILES[H]/N=C/C(/C(N)=N/c1ccccc1)/C(N)=N/c1ccccc1
InChIInChI=1S/C16H17N5/c17-11-14(15(18)20-12-7-3-1-4-8-12)16(19)21-13-9-5-2-6-10-13/h1-11,14,17H,(H2,18,20)(H2,19,21)/b17-11+
InChIKeyVSMFEBIPWKIXCT-GZTJUZNOSA-N
MW279.35 g/mol
LogP2.63
Rot. Bonds5

About 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide

2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide (PubChem CID 123822499) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide.

Molecular Properties

Compound Name2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide
PubChem CID123822499
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide
SMILES[H]/N=C/C(/C(N)=N/c1ccccc1)/C(N)=N/c1ccccc1
InChIInChI=1S/C16H17N5/c17-11-14(15(18)20-12-7-3-1-4-8-12)16(19)21-13-9-5-2-6-10-13/h1-11,14,17H,(H2,18,20)(H2,19,21)/b17-11+
InChIKeyVSMFEBIPWKIXCT-GZTJUZNOSA-N
XLogP2.63
TPSA100.61 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.63
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'}

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Related Compounds

(3-amino-2-formyl-3-phenyliminopropanoyl)-methylcarbamic acid
CID 10038389
N'-(3-aminophenyl)-3-imino-2-methylsulfanylpropanimidamide
CID 123958064
bis(2-phenylguanidine);dihydrochloride
CID 160984545
3-[[(2R)-3-amino-2-methyl-3-phenyliminopropyl]diazenyl]-2-methyl-N'-phenylpropanimidamide
CID 159784015
2-methanimidoyl-3-oxo-3-phenylpropanoic acid
CID 54510773
1,3-diamino-2-phenylguanidine;hydroiodide
CID 12727461
(Z)-5-methyl-4-phenyliminohex-2-en-2-amine
CID 177051041
[4,6-bis[(N'-phenylcarbamimidoyl)sulfanyl]-1,3,5-triazine-1,3,5-triium-2-yl] N'-phenylcarbamimidothioate
CID 135587733
1-N',4-N'-diphenylbenzene-1,4-dicarboximidamide;dihydrochloride
CID 131872163
1-carbamimidoylguanidine;1-(diaminomethylidene)-2-phenylguanidine
CID 176518410
2-(2,3-dichlorophenyl)-2-phenyliminoethanimidamide
CID 11392192
1-carbamimidoyl-1-ethyl-2-phenylguanidine
CID 175345301

Frequently Asked Questions

What is the IUPAC name of 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide?
The IUPAC name of 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide (CID 123822499) is 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide.
What is the SMILES notation for 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide?
The canonical SMILES for 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide is [H]/N=C/C(/C(N)=N/c1ccccc1)/C(N)=N/c1ccccc1.
What is the InChIKey of 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide?
The InChIKey is VSMFEBIPWKIXCT-GZTJUZNOSA-N. The full InChI is InChI=1S/C16H17N5/c17-11-14(15(18)20-12-7-3-1-4-8-12)16(19)21-13-9-5-2-6-10-13/h1-11,14,17H,(H2,18,20)(H2,19,21)/b17-11+.
What are the key properties of 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide?
2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide has a molecular weight of 279.35 g/mol, XLogP of 2.63, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-1-N',3-N'-diphenylpropanediimidamide is sourced from PubChem (CID 123822499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).