1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate

C37H32N2O2 — CID 69269255

IUPAC1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
SMILESCC(OC(=O)C1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C37H32N2O2/c1-28(30-19-9-3-10-20-30)41-36(40)37(33-25-15-6-16-26-33)34(31-21-11-4-12-22-31)39(27-29-17-7-2-8-18-29)35(38-37)32-23-13-5-14-24-32/h2-26,28,34H,27H2,1H3
InChIKeyNQJZNHXMDZJTDK-UHFFFAOYSA-N
MW536.68 g/mol
LogP7.89
Rot. Bonds8

About 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate

1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate (PubChem CID 69269255) has the molecular formula C37H32N2O2 and a molecular weight of 536.68 g/mol. Its IUPAC name is 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Name1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
PubChem CID69269255
Molecular FormulaC37H32N2O2
Molecular Weight536.68 g/mol
Exact Mass536.25
IUPAC Name1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
SMILESCC(OC(=O)C1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)C1c1ccccc1)c1ccccc1
InChIInChI=1S/C37H32N2O2/c1-28(30-19-9-3-10-20-30)41-36(40)37(33-25-15-6-16-26-33)34(31-21-11-4-12-22-31)39(27-29-17-7-2-8-18-29)35(38-37)32-23-13-5-14-24-32/h2-26,28,34H,27H2,1H3
InChIKeyNQJZNHXMDZJTDK-UHFFFAOYSA-N
XLogP7.89
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.68
LogP ≤ 57.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate with MolForge

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Related Compounds

[(1S)-1-phenylethyl] (4R,5S)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 69269481
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxamide
CID 25231641
ethyl (4R,5R)-4-(4-aminophenyl)-3-benzyl-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 44591588
(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid
CID 101253376
ethyl (4R,5R)-3-benzyl-4-(4-methylsulfanylphenyl)-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 71761864
(4S,5R)-3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
CID 135002305
(3,4-dichlorophenyl)methyl 3-benzyl-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylate
CID 25262151
ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate
CID 10069519
ethyl (4R,5R)-3-benzyl-4-[4-[(2,4-dimethoxyphenyl)sulfonylmethyl]phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate
CID 157284906
(3-benzyl-2,5-diphenyl-4,5-dihydroimidazol-4-yl)-phenylmethanone
CID 563948
(4S,5S)-5-methyl-2,4-diphenyl-3-[(1R)-1-phenylethyl]-4H-imidazole-5-carboxylic acid
CID 101203564
[(1R)-1-phenylethyl] 2-chloroacetate
CID 14113253

Frequently Asked Questions

What is the IUPAC name of 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate?
The IUPAC name of 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate (CID 69269255) is 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate.
What is the SMILES notation for 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate?
The canonical SMILES for 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate is CC(OC(=O)C1(c2ccccc2)N=C(c2ccccc2)N(Cc2ccccc2)C1c1ccccc1)c1ccccc1.
What is the InChIKey of 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate?
The InChIKey is NQJZNHXMDZJTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H32N2O2/c1-28(30-19-9-3-10-20-30)41-36(40)37(33-25-15-6-16-26-33)34(31-21-11-4-12-22-31)39(27-29-17-7-2-8-18-29)35(38-37)32-23-13-5-14-24-32/h2-26,28,34H,27H2,1H3.
What are the key properties of 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate?
1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate has a molecular weight of 536.68 g/mol, XLogP of 7.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate is sourced from PubChem (CID 69269255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).