N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine

C25H25N3 — CID 19816139

IUPACN-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine
SMILESCNCc1c(C)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3/c1-20-24(18-26-2)28(19-27-20)25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,26H,18H2,1-2H3
InChIKeyNVYCJSVADXRWJF-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.75
Rot. Bonds6

About N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine

N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine (PubChem CID 19816139) has the molecular formula C25H25N3 and a molecular weight of 367.50 g/mol. Its IUPAC name is N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine
PubChem CID19816139
Molecular FormulaC25H25N3
Molecular Weight367.50 g/mol
Exact Mass367.20
IUPAC NameN-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine
SMILESCNCc1c(C)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C25H25N3/c1-20-24(18-26-2)28(19-27-20)25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,26H,18H2,1-2H3
InChIKeyNVYCJSVADXRWJF-UHFFFAOYSA-N
XLogP4.75
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine (CID 19816139) is N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine is CNCc1c(C)ncn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine?
The InChIKey is NVYCJSVADXRWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3/c1-20-24(18-26-2)28(19-27-20)25(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23/h3-17,19,26H,18H2,1-2H3.
What are the key properties of N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine?
N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine has a molecular weight of 367.50 g/mol, XLogP of 4.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-methyl-3-tritylimidazol-4-yl)methanamine is sourced from PubChem (CID 19816139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).