2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

C26H26N6O — CID 19792154

IUPAC2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCCc1nc2cccc(OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N6O/c1-3-4-12-24-27-22-10-7-11-23(33-2)25(22)32(24)17-18-13-15-19(16-14-18)20-8-5-6-9-21(20)26-28-30-31-29-26/h5-11,13-16H,3-4,12,17H2,1-2H3,(H,28,29,30,31)
InChIKeyACZMKFZUWWULIT-UHFFFAOYSA-N
MW438.54 g/mol
LogP5.28
Rot. Bonds8

About 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole

2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (PubChem CID 19792154) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.

Molecular Properties

Compound Name2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
PubChem CID19792154
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole
SMILESCCCCc1nc2cccc(OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N6O/c1-3-4-12-24-27-22-10-7-11-23(33-2)25(22)32(24)17-18-13-15-19(16-14-18)20-8-5-6-9-21(20)26-28-30-31-29-26/h5-11,13-16H,3-4,12,17H2,1-2H3,(H,28,29,30,31)
InChIKeyACZMKFZUWWULIT-UHFFFAOYSA-N
XLogP5.28
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.54
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The IUPAC name of 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole (CID 19792154) is 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole.
What is the SMILES notation for 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The canonical SMILES for 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is CCCCc1nc2cccc(OC)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
The InChIKey is ACZMKFZUWWULIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-3-4-12-24-27-22-10-7-11-23(33-2)25(22)32(24)17-18-13-15-19(16-14-18)20-8-5-6-9-21(20)26-28-30-31-29-26/h5-11,13-16H,3-4,12,17H2,1-2H3,(H,28,29,30,31).
What are the key properties of 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole?
2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole has a molecular weight of 438.54 g/mol, XLogP of 5.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-methoxy-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole is sourced from PubChem (CID 19792154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).