5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole

C18H14F2N6O — CID 86282902

IUPAC5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
SMILESCOc1ccc(F)c(F)c1-c1nccn1Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C18H14F2N6O/c1-27-14-6-5-13(19)16(20)15(14)18-21-7-8-26(18)10-11-3-2-4-12(9-11)17-22-24-25-23-17/h2-9H,10H2,1H3,(H,22,23,24,25)
InChIKeyXJWLCNFXWWRUBF-UHFFFAOYSA-N
MW368.35 g/mol
LogP3.07
Rot. Bonds5

About 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole

5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole (PubChem CID 86282902) has the molecular formula C18H14F2N6O and a molecular weight of 368.35 g/mol. Its IUPAC name is 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
PubChem CID86282902
Molecular FormulaC18H14F2N6O
Molecular Weight368.35 g/mol
Exact Mass368.12
IUPAC Name5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole
SMILESCOc1ccc(F)c(F)c1-c1nccn1Cc1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C18H14F2N6O/c1-27-14-6-5-13(19)16(20)15(14)18-21-7-8-26(18)10-11-3-2-4-12(9-11)17-22-24-25-23-17/h2-9H,10H2,1H3,(H,22,23,24,25)
InChIKeyXJWLCNFXWWRUBF-UHFFFAOYSA-N
XLogP3.07
TPSA81.51 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole with MolForge

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Related Compounds

2-cyclohexyl-5-[1-[[3-(2H-tetrazol-5-yl)phenyl]methyl]imidazol-2-yl]pyrimidine
CID 70715525
[3-[[2-(2,6-dimethoxyphenyl)imidazol-1-yl]methyl]phenyl]methanamine
CID 82559535
1-[(3-bromo-4-fluorophenyl)methyl]-2-(3-methoxyphenyl)imidazole
CID 82562089
3-[1-[[3-(3-chlorophenyl)-2-fluoro-4-methoxyphenyl]methyl]imidazol-2-yl]pyridine;hydrochloride
CID 68793255
5-(2,6-dimethoxyphenyl)-2H-tetrazole
CID 10726952
5-(3-methoxy-4-phenylmethoxyphenyl)-2H-tetrazole
CID 863210
5-[3-[(2,4-dichlorophenoxy)methyl]phenyl]-2H-tetrazole
CID 155154155
1-(2-ethylimidazol-1-yl)-N-[[3-(2H-tetrazol-5-yl)phenyl]methyl]propan-2-amine
CID 122564757
methyl 3-[[2-(3,4-difluorophenyl)imidazol-1-yl]methyl]benzoate
CID 82561233
3-[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]aniline
CID 60813843
1-[(4-methoxyphenyl)methyl]imidazole-2-carbonitrile;5-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]-2H-tetrazole
CID 157459150
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine
CID 56879430

Frequently Asked Questions

What is the IUPAC name of 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole?
The IUPAC name of 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole (CID 86282902) is 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole.
What is the SMILES notation for 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole?
The canonical SMILES for 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole is COc1ccc(F)c(F)c1-c1nccn1Cc1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole?
The InChIKey is XJWLCNFXWWRUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N6O/c1-27-14-6-5-13(19)16(20)15(14)18-21-7-8-26(18)10-11-3-2-4-12(9-11)17-22-24-25-23-17/h2-9H,10H2,1H3,(H,22,23,24,25).
What are the key properties of 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole?
5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole has a molecular weight of 368.35 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]phenyl]-2H-tetrazole is sourced from PubChem (CID 86282902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).