3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine

C26H26N8 — CID 15187687

IUPAC3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine
SMILESCCCCc1nc(-c2ccc(C)nn2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N8/c1-3-4-9-25-27-24(23-15-10-18(2)28-29-23)17-34(25)16-19-11-13-20(14-12-19)21-7-5-6-8-22(21)26-30-32-33-31-26/h5-8,10-15,17H,3-4,9,16H2,1-2H3,(H,30,31,32,33)
InChIKeyHLNKRWMJKIWEMJ-UHFFFAOYSA-N
MW450.55 g/mol
LogP4.89
Rot. Bonds8

About 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine

3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine (PubChem CID 15187687) has the molecular formula C26H26N8 and a molecular weight of 450.55 g/mol. Its IUPAC name is 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine.

Molecular Properties

Compound Name3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine
PubChem CID15187687
Molecular FormulaC26H26N8
Molecular Weight450.55 g/mol
Exact Mass450.23
IUPAC Name3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine
SMILESCCCCc1nc(-c2ccc(C)nn2)cn1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N8/c1-3-4-9-25-27-24(23-15-10-18(2)28-29-23)17-34(25)16-19-11-13-20(14-12-19)21-7-5-6-8-22(21)26-30-32-33-31-26/h5-8,10-15,17H,3-4,9,16H2,1-2H3,(H,30,31,32,33)
InChIKeyHLNKRWMJKIWEMJ-UHFFFAOYSA-N
XLogP4.89
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine with MolForge

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

Launch Full Analysis

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]-6-methylpyridazine?
The IUPAC name of 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine (CID 15187687) is 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine.
What is the SMILES notation for 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine?
The canonical SMILES for 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine is CCCCc1nc(-c2ccc(C)nn2)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]-6-methylpyridazine?
The InChIKey is HLNKRWMJKIWEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N8/c1-3-4-9-25-27-24(23-15-10-18(2)28-29-23)17-34(25)16-19-11-13-20(14-12-19)21-7-5-6-8-22(21)26-30-32-33-31-26/h5-8,10-15,17H,3-4,9,16H2,1-2H3,(H,30,31,32,33).
What are the key properties of 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine?
3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine has a molecular weight of 450.55 g/mol, XLogP of 4.89, 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]-6-methylpyridazine is sourced from PubChem (CID 15187687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).