[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate

C23H24N6O3 — CID 70051804

IUPAC[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C(C)(C)O)[nH]1
InChIInChI=1S/C23H24N6O3/c1-4-18-24-19(20(25-18)23(2,3)31)22(30)32-13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)21-26-28-29-27-21/h5-12,31H,4,13H2,1-3H3,(H,24,25)(H,26,27,28,29)
InChIKeySSUHSTAUDKFYMA-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.40
Rot. Bonds7

About [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate

[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate (PubChem CID 70051804) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
PubChem CID70051804
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
SMILESCCc1nc(C(=O)OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C(C)(C)O)[nH]1
InChIInChI=1S/C23H24N6O3/c1-4-18-24-19(20(25-18)23(2,3)31)22(30)32-13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)21-26-28-29-27-21/h5-12,31H,4,13H2,1-3H3,(H,24,25)(H,26,27,28,29)
InChIKeySSUHSTAUDKFYMA-UHFFFAOYSA-N
XLogP3.40
TPSA129.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl 2-butyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
CID 70051467
[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 1H-imidazole-5-carboxylate
CID 67424085
ethyl 5-(2-hydroxypropan-2-yl)-2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 143199226
(3-hydroxy-2-oxobutyl) 5-(2-hydroxypropan-2-yl)-2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 123412137
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 19036090
methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 19036114
(3-hydroxy-2-oxobutyl) 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 91168106
[2-(nitrooxymethyl)phenyl]methyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 11227297
ethyl 2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]pyrimidine-5-carboxylate
CID 15658053
2,6-dimethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]pyridine-3-carboxylic acid
CID 14950487
[4-(nitrooxymethyl)phenyl]methyl 2-ethoxy-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 11307973
tert-butyl 2-methyl-2-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methylamino]butanoate
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Frequently Asked Questions

What is the IUPAC name of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate?
The IUPAC name of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate (CID 70051804) is [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate.
What is the SMILES notation for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate?
The canonical SMILES for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate is CCc1nc(C(=O)OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c(C(C)(C)O)[nH]1.
What is the InChIKey of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate?
The InChIKey is SSUHSTAUDKFYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-4-18-24-19(20(25-18)23(2,3)31)22(30)32-13-14-9-11-15(12-10-14)16-7-5-6-8-17(16)21-26-28-29-27-21/h5-12,31H,4,13H2,1-3H3,(H,24,25)(H,26,27,28,29).
What are the key properties of [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate?
[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 3.40, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate is sourced from PubChem (CID 70051804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).