[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone

C23H19N5O — CID 6040171

IUPAC[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)c(N/C=C\c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C23H19N5O/c1-17-12-13-20(23(29)18-8-4-2-5-9-18)21(16-17)24-15-14-22-25-26-27-28(22)19-10-6-3-7-11-19/h2-16,24H,1H3/b15-14-
InChIKeySNGNBZCZYKAOPH-PFONDFGASA-N
MW381.44 g/mol
LogP4.28
Rot. Bonds6

About [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone

[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone (PubChem CID 6040171) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
PubChem CID6040171
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)c(N/C=C\c2nnnn2-c2ccccc2)c1
InChIInChI=1S/C23H19N5O/c1-17-12-13-20(23(29)18-8-4-2-5-9-18)21(16-17)24-15-14-22-25-26-27-28(22)19-10-6-3-7-11-19/h2-16,24H,1H3/b15-14-
InChIKeySNGNBZCZYKAOPH-PFONDFGASA-N
XLogP4.28
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

Analyze [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[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
1-[2-[[(Z)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 10403670
1-[3-[2-(1-phenyltetrazol-5-yl)ethenylamino]phenyl]ethanone
CID 4592804
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
2-nitro-N-[2-(1-phenyltetrazol-5-yl)ethenyl]aniline
CID 2817361
methyl 2-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]benzoate
CID 10043795
N-[2-[1-(4-fluorophenyl)tetrazol-5-yl]ethenyl]-2-methylaniline
CID 593987
4-chloro-2-fluoro-N-[(E)-2-[1-(4-methylphenyl)tetrazol-5-yl]ethenyl]aniline
CID 5368531
1-[3-[[(Z)-2-[1-(4-chlorophenyl)tetrazol-5-yl]ethenyl]amino]phenyl]ethanone
CID 20786923
5-(2,2-diphenylethenyl)-1-(3-methylphenyl)tetrazole
CID 122207425
1-[6-[[(Z)-2-[1-(4-bromophenyl)tetrazol-5-yl]ethenyl]amino]-1,3-benzodioxol-5-yl]ethanone
CID 11836085

Frequently Asked Questions

What is the IUPAC name of [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone?
The IUPAC name of [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone (CID 6040171) is [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone.
What is the SMILES notation for [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone?
The canonical SMILES for [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone is Cc1ccc(C(=O)c2ccccc2)c(N/C=C\c2nnnn2-c2ccccc2)c1.
What is the InChIKey of [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone?
The InChIKey is SNGNBZCZYKAOPH-PFONDFGASA-N. The full InChI is InChI=1S/C23H19N5O/c1-17-12-13-20(23(29)18-8-4-2-5-9-18)21(16-17)24-15-14-22-25-26-27-28(22)19-10-6-3-7-11-19/h2-16,24H,1H3/b15-14-.
What are the key properties of [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone?
[4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone has a molecular weight of 381.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-2-[[(Z)-2-(1-phenyltetrazol-5-yl)ethenyl]amino]phenyl]-phenylmethanone is sourced from PubChem (CID 6040171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).