5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole

C25H26N4O2 — CID 67690185

IUPAC5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole
SMILESCOC(OC)c1ccc(-c2ccccc2-c2nnn(C(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C25H26N4O2/c1-18(17-19-9-5-4-6-10-19)29-27-24(26-28-29)23-12-8-7-11-22(23)20-13-15-21(16-14-20)25(30-2)31-3/h4-16,18,25H,17H2,1-3H3
InChIKeyCYMCBNDNGJEKEV-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.10
Rot. Bonds8

About 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole

5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole (PubChem CID 67690185) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole.

Molecular Properties

Compound Name5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole
PubChem CID67690185
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole
SMILESCOC(OC)c1ccc(-c2ccccc2-c2nnn(C(C)Cc3ccccc3)n2)cc1
InChIInChI=1S/C25H26N4O2/c1-18(17-19-9-5-4-6-10-19)29-27-24(26-28-29)23-12-8-7-11-22(23)20-13-15-21(16-14-20)25(30-2)31-3/h4-16,18,25H,17H2,1-3H3
InChIKeyCYMCBNDNGJEKEV-UHFFFAOYSA-N
XLogP5.10
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2H-tetrazole
CID 59263962
methyl 3-(5-phenyltetrazol-2-yl)butanoate
CID 43536415
5-[2-(4-methylphenyl)phenyl]-2-(3-phenylpropyl)tetrazole
CID 57273245
2-propan-2-yl-5-(4-propan-2-ylphenyl)tetrazole
CID 126669266
2-[(2R)-1-phenylpropan-2-yl]isoindole-1,3-dione
CID 1121128
5-[2-(4-methylphenyl)phenyl]-2-(2-phenylpropan-2-yl)tetrazole
CID 10546069
5-(2-phenylphenyl)-2-(2-phenylpropan-2-yl)tetrazole
CID 10640908
(2S)-2-[5-(3-methoxy-4-phenylmethoxyphenyl)tetrazol-2-yl]butanoate
CID 7123307
2-butyl-5-chloro-3-[[4-[2-[2-[(1S)-1-ethoxyethyl]tetrazol-5-yl]phenyl]phenyl]methyl]imidazole-4-carboxylic acid
CID 95162353
5-[5-benzylsulfanyl-1-(3,5-dichlorophenyl)pyrazol-4-yl]-2-propan-2-yltetrazole
CID 90029956
1-[2-[4-(dimethoxymethyl)phenyl]phenyl]propan-1-one
CID 174612586
[5-[2-[4-(bromomethyl)phenyl]phenyl]tetrazol-2-yl]thallium
CID 142071458

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole?
The IUPAC name of 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole (CID 67690185) is 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole.
What is the SMILES notation for 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole?
The canonical SMILES for 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole is COC(OC)c1ccc(-c2ccccc2-c2nnn(C(C)Cc3ccccc3)n2)cc1.
What is the InChIKey of 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole?
The InChIKey is CYMCBNDNGJEKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18(17-19-9-5-4-6-10-19)29-27-24(26-28-29)23-12-8-7-11-22(23)20-13-15-21(16-14-20)25(30-2)31-3/h4-16,18,25H,17H2,1-3H3.
What are the key properties of 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole?
5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole has a molecular weight of 414.51 g/mol, XLogP of 5.10, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(dimethoxymethyl)phenyl]phenyl]-2-(1-phenylpropan-2-yl)tetrazole is sourced from PubChem (CID 67690185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).