methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

C24H26N6O4 — CID 19036114

IUPACmethyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
SMILESCOCc1nc(C(C)(C)O)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H26N6O4/c1-24(2,32)21-20(23(31)34-4)30(19(25-21)14-33-3)13-15-9-11-16(12-10-15)17-7-5-6-8-18(17)22-26-28-29-27-22/h5-12,32H,13-14H2,1-4H3,(H,26,27,28,29)
InChIKeyBISGQPPRPWPQAF-UHFFFAOYSA-N
MW462.51 g/mol
LogP2.94
Rot. Bonds8

About methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate

methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate (PubChem CID 19036114) has the molecular formula C24H26N6O4 and a molecular weight of 462.51 g/mol. Its IUPAC name is methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
PubChem CID19036114
Molecular FormulaC24H26N6O4
Molecular Weight462.51 g/mol
Exact Mass462.20
IUPAC Namemethyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
SMILESCOCc1nc(C(C)(C)O)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C24H26N6O4/c1-24(2,32)21-20(23(31)34-4)30(19(25-21)14-33-3)13-15-9-11-16(12-10-15)17-7-5-6-8-18(17)22-26-28-29-27-22/h5-12,32H,13-14H2,1-4H3,(H,26,27,28,29)
InChIKeyBISGQPPRPWPQAF-UHFFFAOYSA-N
XLogP2.94
TPSA128.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.51
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 5-(2-hydroxypropan-2-yl)-2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 143199226
methyl 2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654724
5-(2-hydroxypropan-2-yl)-2-(methylsulfanylmethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 19036069
(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
methyl 2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 174350917
[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
(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
2-(2-nitrooxyethylsulfanyl)ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 11330829
ethyl 5-(2-hydroxypropan-2-yl)-2-propyl-3-[[2,3,5,6-tetradeuterio-4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate
CID 71481052
5-[2-[(4-methoxyphenyl)methoxy]propan-2-yl]-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 171379250
methyl 2-(2-methoxyethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate
CID 15654728
methyl 2-[2-[4-[[4-(2-hydroxypropan-2-yl)-2-propyl-5-(2H-tetrazol-5-yl)imidazol-1-yl]methyl]phenyl]phenyl]-2-oxoacetate
CID 54387034

Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?
The IUPAC name of methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate (CID 19036114) is methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate is COCc1nc(C(C)(C)O)c(C(=O)OC)n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?
The InChIKey is BISGQPPRPWPQAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O4/c1-24(2,32)21-20(23(31)34-4)30(19(25-21)14-33-3)13-15-9-11-16(12-10-15)17-7-5-6-8-18(17)22-26-28-29-27-22/h5-12,32H,13-14H2,1-4H3,(H,26,27,28,29).
What are the key properties of methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate?
methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate has a molecular weight of 462.51 g/mol, XLogP of 2.94, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-hydroxypropan-2-yl)-2-(methoxymethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carboxylate is sourced from PubChem (CID 19036114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).