N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide

C25H24N4 — CID 59861587

IUPACN,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide
SMILESCN(C)/C=N/c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N4/c1-28(2)20-27-24-26-18-19-29(24)25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3/b27-20+
InChIKeyRVZOIHYDGRMCQC-NHFJDJAPSA-N
MW380.50 g/mol
LogP4.94
Rot. Bonds6

About N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide

N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide (PubChem CID 59861587) has the molecular formula C25H24N4 and a molecular weight of 380.50 g/mol. Its IUPAC name is N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide
PubChem CID59861587
Molecular FormulaC25H24N4
Molecular Weight380.50 g/mol
Exact Mass380.20
IUPAC NameN,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide
SMILESCN(C)/C=N/c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H24N4/c1-28(2)20-27-24-26-18-19-29(24)25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3/b27-20+
InChIKeyRVZOIHYDGRMCQC-NHFJDJAPSA-N
XLogP4.94
TPSA33.42 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 54.94
H-Bond Donors ≤ 50
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': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide (CID 59861587) is N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide is CN(C)/C=N/c1nccn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide?
The InChIKey is RVZOIHYDGRMCQC-NHFJDJAPSA-N. The full InChI is InChI=1S/C25H24N4/c1-28(2)20-27-24-26-18-19-29(24)25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-20H,1-2H3/b27-20+.
What are the key properties of N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide?
N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide has a molecular weight of 380.50 g/mol, XLogP of 4.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(1-tritylimidazol-2-yl)methanimidamide is sourced from PubChem (CID 59861587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).