ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate

C25H25N3O2 — CID 10069519

IUPACethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate
SMILESCCOC(=O)C1(C)N=C(c2ccccc2)N(Cc2ccccc2)C1c1ccncc1
InChIInChI=1S/C25H25N3O2/c1-3-30-24(29)25(2)22(20-14-16-26-17-15-20)28(18-19-10-6-4-7-11-19)23(27-25)21-12-8-5-9-13-21/h4-17,22H,3,18H2,1-2H3
InChIKeyJDGFXFNCUCXCPU-UHFFFAOYSA-N
MW399.49 g/mol
LogP4.41
Rot. Bonds6

About ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate

ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate (PubChem CID 10069519) has the molecular formula C25H25N3O2 and a molecular weight of 399.49 g/mol. Its IUPAC name is ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate
PubChem CID10069519
Molecular FormulaC25H25N3O2
Molecular Weight399.49 g/mol
Exact Mass399.19
IUPAC Nameethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate
SMILESCCOC(=O)C1(C)N=C(c2ccccc2)N(Cc2ccccc2)C1c1ccncc1
InChIInChI=1S/C25H25N3O2/c1-3-30-24(29)25(2)22(20-14-16-26-17-15-20)28(18-19-10-6-4-7-11-19)23(27-25)21-12-8-5-9-13-21/h4-17,22H,3,18H2,1-2H3
InChIKeyJDGFXFNCUCXCPU-UHFFFAOYSA-N
XLogP4.41
TPSA54.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(4R,5R)-3-benzyl-2,5-diphenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylic acid
CID 101253376
ethyl (4R,5R)-4-(4-aminophenyl)-3-benzyl-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 44591588
ethyl (4R,5R)-3-benzyl-4-(4-methylsulfanylphenyl)-2,5-diphenyl-4H-imidazole-5-carboxylate
CID 71761864
3-(3-ethoxy-3-oxopropyl)-5-methyl-2,4-diphenyl-4H-imidazole-5-carboxylic acid
CID 10429853
(4R,5S)-2,3-dibenzyl-5-methyl-4-phenyl-4H-imidazole-5-carboxylic acid
CID 68995751
(4R,5R)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxamide
CID 25231641
1-phenylethyl 3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 69269255
[(1S)-1-phenylethyl] (4R,5S)-3-benzyl-2,4,5-triphenyl-4H-imidazole-5-carboxylate
CID 69269481
ethyl (4R,5R)-3-benzyl-4-[4-[(2,4-dimethoxyphenyl)sulfonylmethyl]phenyl]-2-[4-(hydroxymethyl)phenyl]-5-phenyl-4H-imidazole-5-carboxylate
CID 157284906
ethyl (3S,4S)-1-benzyl-2-oxo-4-phenyl-3-phenylsulfanylazetidine-3-carboxylate
CID 11538952

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate?
The IUPAC name of ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate (CID 10069519) is ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate is CCOC(=O)C1(C)N=C(c2ccccc2)N(Cc2ccccc2)C1c1ccncc1.
What is the InChIKey of ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate?
The InChIKey is JDGFXFNCUCXCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O2/c1-3-30-24(29)25(2)22(20-14-16-26-17-15-20)28(18-19-10-6-4-7-11-19)23(27-25)21-12-8-5-9-13-21/h4-17,22H,3,18H2,1-2H3.
What are the key properties of ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate?
ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate has a molecular weight of 399.49 g/mol, XLogP of 4.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-5-methyl-2-phenyl-4-pyridin-4-yl-4H-imidazole-5-carboxylate is sourced from PubChem (CID 10069519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).