2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid

C26H23N7O3 — CID 15654762

IUPAC2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2nc(N3CCOCC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c12
InChIInChI=1S/C26H23N7O3/c34-25(35)21-6-3-7-22-23(21)33(26(27-22)32-12-14-36-15-13-32)16-17-8-10-18(11-9-17)19-4-1-2-5-20(19)24-28-30-31-29-24/h1-11H,12-16H2,(H,34,35)(H,28,29,30,31)
InChIKeyIQZBZEIJUUZHGP-UHFFFAOYSA-N
MW481.52 g/mol
LogP3.47
Rot. Bonds6

About 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid

2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid (PubChem CID 15654762) has the molecular formula C26H23N7O3 and a molecular weight of 481.52 g/mol. Its IUPAC name is 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid.

Molecular Properties

Compound Name2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
PubChem CID15654762
Molecular FormulaC26H23N7O3
Molecular Weight481.52 g/mol
Exact Mass481.19
IUPAC Name2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid
SMILESO=C(O)c1cccc2nc(N3CCOCC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c12
InChIInChI=1S/C26H23N7O3/c34-25(35)21-6-3-7-22-23(21)33(26(27-22)32-12-14-36-15-13-32)16-17-8-10-18(11-9-17)19-4-1-2-5-20(19)24-28-30-31-29-24/h1-11H,12-16H2,(H,34,35)(H,28,29,30,31)
InChIKeyIQZBZEIJUUZHGP-UHFFFAOYSA-N
XLogP3.47
TPSA122.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The IUPAC name of 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid (CID 15654762) is 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid.
What is the SMILES notation for 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The canonical SMILES for 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid is O=C(O)c1cccc2nc(N3CCOCC3)n(Cc3ccc(-c4ccccc4-c4nn[nH]n4)cc3)c12.
What is the InChIKey of 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid?
The InChIKey is IQZBZEIJUUZHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N7O3/c34-25(35)21-6-3-7-22-23(21)33(26(27-22)32-12-14-36-15-13-32)16-17-8-10-18(11-9-17)19-4-1-2-5-20(19)24-28-30-31-29-24/h1-11H,12-16H2,(H,34,35)(H,28,29,30,31).
What are the key properties of 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid?
2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid has a molecular weight of 481.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylic acid is sourced from PubChem (CID 15654762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).