3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine

C27H28N8 — CID 15187686

IUPAC3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine
SMILESCCCCc1nc(-c2nc(C)cnc2C)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C27H28N8/c1-4-5-10-25-30-24(26-19(3)28-15-18(2)29-26)17-35(25)16-20-11-13-21(14-12-20)22-8-6-7-9-23(22)27-31-33-34-32-27/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,31,32,33,34)
InChIKeyNVUIBGHVPKYGQZ-UHFFFAOYSA-N
MW464.58 g/mol
LogP5.19
Rot. Bonds8

About 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine

3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine (PubChem CID 15187686) has the molecular formula C27H28N8 and a molecular weight of 464.58 g/mol. Its IUPAC name is 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine.

Molecular Properties

Compound Name3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine
PubChem CID15187686
Molecular FormulaC27H28N8
Molecular Weight464.58 g/mol
Exact Mass464.24
IUPAC Name3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine
SMILESCCCCc1nc(-c2nc(C)cnc2C)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C27H28N8/c1-4-5-10-25-30-24(26-19(3)28-15-18(2)29-26)17-35(25)16-20-11-13-21(14-12-20)22-8-6-7-9-23(22)27-31-33-34-32-27/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,31,32,33,34)
InChIKeyNVUIBGHVPKYGQZ-UHFFFAOYSA-N
XLogP5.19
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.58
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine?
The IUPAC name of 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine (CID 15187686) is 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine.
What is the SMILES notation for 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine?
The canonical SMILES for 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine is CCCCc1nc(-c2nc(C)cnc2C)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine?
The InChIKey is NVUIBGHVPKYGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N8/c1-4-5-10-25-30-24(26-19(3)28-15-18(2)29-26)17-35(25)16-20-11-13-21(14-12-20)22-8-6-7-9-23(22)27-31-33-34-32-27/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,31,32,33,34).
What are the key properties of 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine?
3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine has a molecular weight of 464.58 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine is sourced from PubChem (CID 15187686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).