[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium

C23H24N5+ — CID 7154844

IUPAC[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](c1ccccc1)c1nnnn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N5/c1-27(2)22(20-16-10-5-11-17-20)23-24-25-26-28(23)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/p+1/t22-/m0/s1
InChIKeyZESJHHVWJXJFBY-QFIPXVFZSA-O
MW370.48 g/mol
LogP2.54
Rot. Bonds6

About [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium

[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium (PubChem CID 7154844) has the molecular formula C23H24N5+ and a molecular weight of 370.48 g/mol. Its IUPAC name is [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium.

Molecular Properties

Compound Name[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium
PubChem CID7154844
Molecular FormulaC23H24N5+
Molecular Weight370.48 g/mol
Exact Mass370.20
IUPAC Name[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium
SMILESC[NH+](C)[C@@H](c1ccccc1)c1nnnn1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C23H23N5/c1-27(2)22(20-16-10-5-11-17-20)23-24-25-26-28(23)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/p+1/t22-/m0/s1
InChIKeyZESJHHVWJXJFBY-QFIPXVFZSA-O
XLogP2.54
TPSA48.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium 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

1-benzhydryl-5-(1-chloroethyl)tetrazole
CID 103084363
1-(1-benzhydryltetrazol-5-yl)-1-(1,3-benzodioxol-5-yl)-N-methylmethanamine
CID 3600734
2-(1-benzhydryltetrazol-5-yl)acetic acid
CID 84758807
1-(1-phenylethyl)tetrazol-5-amine
CID 19981424
N-[1-[1-(1-phenylethyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085388
N-[1-[1-(1-phenylpropyl)tetrazol-5-yl]ethyl]propan-1-amine
CID 103085558
1-(5-benzhydryltetrazol-1-yl)-2,2-dimethylpropan-1-one
CID 122205753
1-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;1-[(R)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 160503508
1-(1-phenylpropyl)tetrazol-5-amine
CID 79506714
1-methyl-5-[nitroso(phenyl)methyl]tetrazole
CID 91094725
1-[(S)-(4-chlorophenyl)-(1-propan-2-yltetrazol-5-yl)methyl]-4-phenylpiperazine
CID 7388615
ethyl 2-[[(1-benzhydryltetrazol-5-yl)-(1,3-benzodioxol-5-yl)methyl]amino]acetate
CID 3109937

Frequently Asked Questions

What is the IUPAC name of [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium?
The IUPAC name of [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium (CID 7154844) is [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium.
What is the SMILES notation for [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium?
The canonical SMILES for [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium is C[NH+](C)[C@@H](c1ccccc1)c1nnnn1C(c1ccccc1)c1ccccc1.
What is the InChIKey of [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium?
The InChIKey is ZESJHHVWJXJFBY-QFIPXVFZSA-O. The full InChI is InChI=1S/C23H23N5/c1-27(2)22(20-16-10-5-11-17-20)23-24-25-26-28(23)21(18-12-6-3-7-13-18)19-14-8-4-9-15-19/h3-17,21-22H,1-2H3/p+1/t22-/m0/s1.
What are the key properties of [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium?
[(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium has a molecular weight of 370.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(S)-(1-benzhydryltetrazol-5-yl)-phenylmethyl]-dimethylazanium is sourced from PubChem (CID 7154844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).