[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol

C26H26N6O — CID 19792159

IUPAC[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol
SMILESCCCCc1nc2cccc(CO)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N6O/c1-2-3-11-24-27-23-10-6-7-20(17-33)25(23)32(24)16-18-12-14-19(15-13-18)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-10,12-15,33H,2-3,11,16-17H2,1H3,(H,28,29,30,31)
InChIKeyRHWLMJVCTQINJS-UHFFFAOYSA-N
MW438.54 g/mol
LogP4.77
Rot. Bonds8

About [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol

[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol (PubChem CID 19792159) has the molecular formula C26H26N6O and a molecular weight of 438.54 g/mol. Its IUPAC name is [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol.

Molecular Properties

Compound Name[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol
PubChem CID19792159
Molecular FormulaC26H26N6O
Molecular Weight438.54 g/mol
Exact Mass438.22
IUPAC Name[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol
SMILESCCCCc1nc2cccc(CO)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1
InChIInChI=1S/C26H26N6O/c1-2-3-11-24-27-23-10-6-7-20(17-33)25(23)32(24)16-18-12-14-19(15-13-18)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-10,12-15,33H,2-3,11,16-17H2,1H3,(H,28,29,30,31)
InChIKeyRHWLMJVCTQINJS-UHFFFAOYSA-N
XLogP4.77
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.54
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol?
The IUPAC name of [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol (CID 19792159) is [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol.
What is the SMILES notation for [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol?
The canonical SMILES for [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol is CCCCc1nc2cccc(CO)c2n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1.
What is the InChIKey of [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol?
The InChIKey is RHWLMJVCTQINJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N6O/c1-2-3-11-24-27-23-10-6-7-20(17-33)25(23)32(24)16-18-12-14-19(15-13-18)21-8-4-5-9-22(21)26-28-30-31-29-26/h4-10,12-15,33H,2-3,11,16-17H2,1H3,(H,28,29,30,31).
What are the key properties of [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol?
[2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol has a molecular weight of 438.54 g/mol, XLogP of 4.77, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-butyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-4-yl]methanol is sourced from PubChem (CID 19792159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).