5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole

C27H36N6O2 — CID 67910520

IUPAC5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCN1CN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(CCC(C)C)=C1C(OC)OC
InChIInChI=1S/C27H36N6O2/c1-6-32-18-33(24(16-11-19(2)3)25(32)27(34-4)35-5)17-20-12-14-21(15-13-20)22-9-7-8-10-23(22)26-28-30-31-29-26/h7-10,12-15,19,27H,6,11,16-18H2,1-5H3,(H,28,29,30,31)
InChIKeyZPQJHPQNQNWOAK-UHFFFAOYSA-N
MW476.63 g/mol
LogP4.90
Rot. Bonds11

About 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole

5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole (PubChem CID 67910520) has the molecular formula C27H36N6O2 and a molecular weight of 476.63 g/mol. Its IUPAC name is 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
PubChem CID67910520
Molecular FormulaC27H36N6O2
Molecular Weight476.63 g/mol
Exact Mass476.29
IUPAC Name5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
SMILESCCN1CN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(CCC(C)C)=C1C(OC)OC
InChIInChI=1S/C27H36N6O2/c1-6-32-18-33(24(16-11-19(2)3)25(32)27(34-4)35-5)17-20-12-14-21(15-13-20)22-9-7-8-10-23(22)26-28-30-31-29-26/h7-10,12-15,19,27H,6,11,16-18H2,1-5H3,(H,28,29,30,31)
InChIKeyZPQJHPQNQNWOAK-UHFFFAOYSA-N
XLogP4.90
TPSA79.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.63
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-[[3-tert-butyl-4-(dimethoxymethyl)-5-propyl-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67870599
5-[2-[4-[[5-butyl-3-tert-butyl-4-(dimethoxymethyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67871181
5-[2-[4-[[4-fluoro-5-(3-methylbutyl)-3-(2-phenylethyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 67870742
3-(cyclohexanecarbonyl)-5-(3-methylbutyl)-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazole-4-carboxylic acid
CID 67910345
5-[2-[4-[[5-(3-methylbutyl)-3-propoxy-1,2,4-triazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole
CID 19903602
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
5-(dimethoxymethyl)-4-(3-methylbutyl)-1-pentanoyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740795
5-(dimethoxymethyl)-1-ethyl-4-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740504
4-(3-methylbutyl)-1-propanoyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740960
1-ethyl-5-(fluoromethyl)-4-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740066
1-(2-cyclohexylethyl)-5-(dimethoxymethyl)-4-(3-methylbutyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-2-one
CID 19740858
[4-butyl-5-(difluoromethyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazol-1-yl]-cyclohexylmethanone
CID 67870087

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole (CID 67910520) is 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole is CCN1CN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)C(CCC(C)C)=C1C(OC)OC.
What is the InChIKey of 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole?
The InChIKey is ZPQJHPQNQNWOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N6O2/c1-6-32-18-33(24(16-11-19(2)3)25(32)27(34-4)35-5)17-20-12-14-21(15-13-20)22-9-7-8-10-23(22)26-28-30-31-29-26/h7-10,12-15,19,27H,6,11,16-18H2,1-5H3,(H,28,29,30,31).
What are the key properties of 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole?
5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole has a molecular weight of 476.63 g/mol, XLogP of 4.90, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[[4-(dimethoxymethyl)-3-ethyl-5-(3-methylbutyl)-2H-imidazol-1-yl]methyl]phenyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 67910520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).