(2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole

C37H36N2 — CID 7870145

IUPAC(2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole
SMILESCCN1c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2N(CC)[C@@]1(C)c1ccccc1
InChIInChI=1S/C37H36N2/c1-4-38-34-27-26-33(28-35(34)39(5-2)36(38,3)29-18-10-6-11-19-29)37(30-20-12-7-13-21-30,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-28H,4-5H2,1-3H3/t36-/m0/s1
InChIKeyFLZULVSHVFJOFK-BHVANESWSA-N
MW508.71 g/mol
LogP8.61
Rot. Bonds7

About (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole

(2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole (PubChem CID 7870145) has the molecular formula C37H36N2 and a molecular weight of 508.71 g/mol. Its IUPAC name is (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole.

Molecular Properties

Compound Name(2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole
PubChem CID7870145
Molecular FormulaC37H36N2
Molecular Weight508.71 g/mol
Exact Mass508.29
IUPAC Name(2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole
SMILESCCN1c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2N(CC)[C@@]1(C)c1ccccc1
InChIInChI=1S/C37H36N2/c1-4-38-34-27-26-33(28-35(34)39(5-2)36(38,3)29-18-10-6-11-19-29)37(30-20-12-7-13-21-30,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-28H,4-5H2,1-3H3/t36-/m0/s1
InChIKeyFLZULVSHVFJOFK-BHVANESWSA-N
XLogP8.61
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.71
LogP ≤ 58.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole?
The IUPAC name of (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole (CID 7870145) is (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole.
What is the SMILES notation for (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole?
The canonical SMILES for (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole is CCN1c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2N(CC)[C@@]1(C)c1ccccc1.
What is the InChIKey of (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole?
The InChIKey is FLZULVSHVFJOFK-BHVANESWSA-N. The full InChI is InChI=1S/C37H36N2/c1-4-38-34-27-26-33(28-35(34)39(5-2)36(38,3)29-18-10-6-11-19-29)37(30-20-12-7-13-21-30,31-22-14-8-15-23-31)32-24-16-9-17-25-32/h6-28H,4-5H2,1-3H3/t36-/m0/s1.
What are the key properties of (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole?
(2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole has a molecular weight of 508.71 g/mol, XLogP of 8.61, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,3-diethyl-2-methyl-2-phenyl-5-tritylbenzimidazole is sourced from PubChem (CID 7870145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).