5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide

C29H25N5O2 — CID 166357589

IUPAC5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cc2ccccc2)ccc1O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C29H25N5O2/c1-19(30-29(36)26-17-21(10-15-27(26)35)16-20-6-3-2-4-7-20)22-11-13-23(14-12-22)24-8-5-9-25(18-24)28-31-33-34-32-28/h2-15,17-19,35H,16H2,1H3,(H,30,36)(H,31,32,33,34)
InChIKeyARNAIQLRJAIPFR-UHFFFAOYSA-N
MW475.55 g/mol
LogP5.32
Rot. Bonds7

About 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide

5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide (PubChem CID 166357589) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide.

Molecular Properties

Compound Name5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide
PubChem CID166357589
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC Name5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide
SMILESCC(NC(=O)c1cc(Cc2ccccc2)ccc1O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1
InChIInChI=1S/C29H25N5O2/c1-19(30-29(36)26-17-21(10-15-27(26)35)16-20-6-3-2-4-7-20)22-11-13-23(14-12-22)24-8-5-9-25(18-24)28-31-33-34-32-28/h2-15,17-19,35H,16H2,1H3,(H,30,36)(H,31,32,33,34)
InChIKeyARNAIQLRJAIPFR-UHFFFAOYSA-N
XLogP5.32
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 55.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-benzyl-1-methyl-N-[1-[3-(2H-tetrazol-5-yl)phenyl]ethyl]pyrazole-4-carboxamide
CID 166324368
2-[[3-(2H-tetrazol-5-yl)benzoyl]amino]propanoic acid
CID 43355204
6-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-N-[(2S,3S)-3-hydroxy-4-oxo-1-phenyl-4-[3-(2H-tetrazol-5-yl)anilino]butan-2-yl]-4-oxopyran-2,6-dicarboxamide
CID 59356737
6-bromo-1,3-dimethyl-2-oxo-N-[1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]benzimidazole-5-carboxamide
CID 166391695
N-[1-(4-methylsulfonylphenyl)ethyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74250699
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
methyl 6-[[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]carbamoyl]pyrimidine-4-carboxylate
CID 58916770
6-N-[[3-(difluoromethoxy)phenyl]methyl]-4-N-[(1S)-1-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine-4,6-dicarboxamide
CID 25005748
N-[(1R)-1-phenylethyl]-2-[[2-(4-phenylphenyl)acetyl]amino]benzamide
CID 100515353
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
3-methyl-N-[(1S)-1-(4-phenylphenyl)ethyl]-1,2-thiazole-4-carboxamide
CID 97255775

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide?
The IUPAC name of 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide (CID 166357589) is 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide.
What is the SMILES notation for 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide?
The canonical SMILES for 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide is CC(NC(=O)c1cc(Cc2ccccc2)ccc1O)c1ccc(-c2cccc(-c3nn[nH]n3)c2)cc1.
What is the InChIKey of 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide?
The InChIKey is ARNAIQLRJAIPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c1-19(30-29(36)26-17-21(10-15-27(26)35)16-20-6-3-2-4-7-20)22-11-13-23(14-12-22)24-8-5-9-25(18-24)28-31-33-34-32-28/h2-15,17-19,35H,16H2,1H3,(H,30,36)(H,31,32,33,34).
What are the key properties of 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide?
5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 5.32, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-hydroxy-N-[1-[4-[3-(2H-tetrazol-5-yl)phenyl]phenyl]ethyl]benzamide is sourced from PubChem (CID 166357589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).