2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid

C22H17N5O2 — CID 74520995

IUPAC2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
SMILESO=C(O)c1ccccc1NC=Cc1nnnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17N5O2/c28-22(29)19-8-4-5-9-20(19)23-15-14-21-24-25-26-27(21)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,23H,(H,28,29)
InChIKeyBVWVSYIYDHETBQ-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.11
Rot. Bonds6

About 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid

2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid (PubChem CID 74520995) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid.

Molecular Properties

Compound Name2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
PubChem CID74520995
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
SMILESO=C(O)c1ccccc1NC=Cc1nnnn1-c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C22H17N5O2/c28-22(29)19-8-4-5-9-20(19)23-15-14-21-24-25-26-27(21)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,23H,(H,28,29)
InChIKeyBVWVSYIYDHETBQ-UHFFFAOYSA-N
XLogP4.11
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
[2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]phenyl]-phenylmethanone
CID 2729156
[2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]-phenylmethanone
CID 10363707
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 2817361
[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
CID 6040171
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-2-methylaniline
CID 593987
2-[2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenylamino]benzonitrile
CID 2729593
2-(2-phenylethenylamino)benzoic acid
CID 69497392
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804
2-[5-[(E)-2-carboxyethenyl]tetrazol-1-yl]benzoic acid
CID 82366567
4-bromo-N-[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]aniline
CID 27125700

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid?
The IUPAC name of 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid (CID 74520995) is 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid.
What is the SMILES notation for 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid?
The canonical SMILES for 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid is O=C(O)c1ccccc1NC=Cc1nnnn1-c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid?
The InChIKey is BVWVSYIYDHETBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c28-22(29)19-8-4-5-9-20(19)23-15-14-21-24-25-26-27(21)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h1-15,23H,(H,28,29).
What are the key properties of 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid?
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid has a molecular weight of 383.41 g/mol, XLogP of 4.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid is sourced from PubChem (CID 74520995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).