N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine

C24H21N7 — CID 133287796

IUPACN-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C24H21N7/c1-2-7-22(8-3-1)31-24(27-28-29-31)26-16-21-6-4-5-9-23(21)20-12-10-19(11-13-20)17-30-15-14-25-18-30/h1-15,18H,16-17H2,(H,26,27,29)
InChIKeyPJWSPZBKCFZGRY-UHFFFAOYSA-N
MW407.48 g/mol
LogP4.19
Rot. Bonds7

About N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine

N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine (PubChem CID 133287796) has the molecular formula C24H21N7 and a molecular weight of 407.48 g/mol. Its IUPAC name is N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine.

Molecular Properties

Compound NameN-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine
PubChem CID133287796
Molecular FormulaC24H21N7
Molecular Weight407.48 g/mol
Exact Mass407.19
IUPAC NameN-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine
SMILESc1ccc(-n2nnnc2NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1
InChIInChI=1S/C24H21N7/c1-2-7-22(8-3-1)31-24(27-28-29-31)26-16-21-6-4-5-9-23(21)20-12-10-19(11-13-20)17-30-15-14-25-18-30/h1-15,18H,16-17H2,(H,26,27,29)
InChIKeyPJWSPZBKCFZGRY-UHFFFAOYSA-N
XLogP4.19
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4,4'-Di(1H-imidazol-1-yl)-1,1'-biphenyl
CID 57393199
3-phenyl-N-[[3-(p-tolylmethyl)imidazol-4-yl]methyl]aniline
CID 504428
3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethylpyrazine
CID 15187686
3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-6-methylpyridazine
CID 15187687
2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]pyrazine
CID 44212840
1-Benzyl-3-[4-[4-(3-benzylimidazol-3-ium-1-yl)phenyl]phenyl]imidazol-1-ium dibromide
CID 46184867
1-Methyl-3-[4-[4-(3-methylimidazol-3-ium-1-yl)phenyl]phenyl]imidazol-1-ium diiodide
CID 46185136
5-[4-(4-imidazol-1-yl-2-methylphenyl)phenyl]-2H-tetrazole
CID 118978645
5-[4-(4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
CID 118978662
5-[4-[4-(2-methylimidazol-1-yl)phenyl]phenyl]-2H-tetrazole
CID 118978717
5-[4-(2-ethyl-4-imidazol-1-ylphenyl)phenyl]-2H-tetrazole
CID 118978775
5-[4-(2-ethyl-4-imidazol-1-ylphenyl)-3-fluorophenyl]-2H-tetrazole
CID 118978811

Frequently Asked Questions

What is the IUPAC name of N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine?
The IUPAC name of N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine (CID 133287796) is N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine.
What is the SMILES notation for N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine?
The canonical SMILES for N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine is c1ccc(-n2nnnc2NCc2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1.
What is the InChIKey of N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine?
The InChIKey is PJWSPZBKCFZGRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7/c1-2-7-22(8-3-1)31-24(27-28-29-31)26-16-21-6-4-5-9-23(21)20-12-10-19(11-13-20)17-30-15-14-25-18-30/h1-15,18H,16-17H2,(H,26,27,29).
What are the key properties of N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine?
N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine has a molecular weight of 407.48 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[4-(imidazol-1-ylmethyl)phenyl]phenyl]methyl]-1-phenyltetrazol-5-amine is sourced from PubChem (CID 133287796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).