3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol

C19H18N6O — CID 118978677

IUPAC3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol
SMILESOCCCc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H18N6O/c26-11-1-2-15-12-16(19-21-23-24-22-19)5-8-18(15)14-3-6-17(7-4-14)25-10-9-20-13-25/h3-10,12-13,26H,1-2,11H2,(H,21,22,23,24)
InChIKeyUBBCFWCXDFHAJE-UHFFFAOYSA-N
MW346.39 g/mol
LogP2.64
Rot. Bonds6

About 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol

3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol (PubChem CID 118978677) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol
PubChem CID118978677
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC Name3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol
SMILESOCCCc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C19H18N6O/c26-11-1-2-15-12-16(19-21-23-24-22-19)5-8-18(15)14-3-6-17(7-4-14)25-10-9-20-13-25/h3-10,12-13,26H,1-2,11H2,(H,21,22,23,24)
InChIKeyUBBCFWCXDFHAJE-UHFFFAOYSA-N
XLogP2.64
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol?
The IUPAC name of 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol (CID 118978677) is 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol.
What is the SMILES notation for 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol?
The canonical SMILES for 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol is OCCCc1cc(-c2nn[nH]n2)ccc1-c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol?
The InChIKey is UBBCFWCXDFHAJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c26-11-1-2-15-12-16(19-21-23-24-22-19)5-8-18(15)14-3-6-17(7-4-14)25-10-9-20-13-25/h3-10,12-13,26H,1-2,11H2,(H,21,22,23,24).
What are the key properties of 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol?
3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol has a molecular weight of 346.39 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-imidazol-1-ylphenyl)-5-(2H-tetrazol-5-yl)phenyl]propan-1-ol is sourced from PubChem (CID 118978677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).