[3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine

C30H27N3 — CID 22450046

IUPAC[3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine
SMILESNCc1cccc(C(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H27N3/c31-20-23-11-10-12-24(19-23)29(28-21-32-22-33-28)30(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-19,21-22,29H,20,31H2,(H,32,33)
InChIKeyQZXHXWVIOVUGDV-UHFFFAOYSA-N
MW429.57 g/mol
LogP6.03
Rot. Bonds7

About [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine

[3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine (PubChem CID 22450046) has the molecular formula C30H27N3 and a molecular weight of 429.57 g/mol. Its IUPAC name is [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine
PubChem CID22450046
Molecular FormulaC30H27N3
Molecular Weight429.57 g/mol
Exact Mass429.22
IUPAC Name[3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine
SMILESNCc1cccc(C(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C30H27N3/c31-20-23-11-10-12-24(19-23)29(28-21-32-22-33-28)30(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-19,21-22,29H,20,31H2,(H,32,33)
InChIKeyQZXHXWVIOVUGDV-UHFFFAOYSA-N
XLogP6.03
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.57
LogP ≤ 56.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine?
The IUPAC name of [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine (CID 22450046) is [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine.
What is the SMILES notation for [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine?
The canonical SMILES for [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine is NCc1cccc(C(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine?
The InChIKey is QZXHXWVIOVUGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N3/c31-20-23-11-10-12-24(19-23)29(28-21-32-22-33-28)30(25-13-4-1-5-14-25,26-15-6-2-7-16-26)27-17-8-3-9-18-27/h1-19,21-22,29H,20,31H2,(H,32,33).
What are the key properties of [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine?
[3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine has a molecular weight of 429.57 g/mol, XLogP of 6.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(1H-imidazol-5-yl)-2,2,2-triphenylethyl]phenyl]methanamine is sourced from PubChem (CID 22450046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).