1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole

C18H13F2N5O — CID 56899429

IUPAC1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole
SMILESCOc1ccc(F)c(F)c1-c1nccn1-c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H13F2N5O/c1-26-15-7-6-14(19)17(20)16(15)18-22-8-9-24(18)12-2-4-13(5-3-12)25-11-21-10-23-25/h2-11H,1H3
InChIKeyFXXICEQXKSDQEW-UHFFFAOYSA-N
MW353.33 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole

1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole (PubChem CID 56899429) has the molecular formula C18H13F2N5O and a molecular weight of 353.33 g/mol. Its IUPAC name is 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole
PubChem CID56899429
Molecular FormulaC18H13F2N5O
Molecular Weight353.33 g/mol
Exact Mass353.11
IUPAC Name1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole
SMILESCOc1ccc(F)c(F)c1-c1nccn1-c1ccc(-n2cncn2)cc1
InChIInChI=1S/C18H13F2N5O/c1-26-15-7-6-14(19)17(20)16(15)18-22-8-9-24(18)12-2-4-13(5-3-12)25-11-21-10-23-25/h2-11H,1H3
InChIKeyFXXICEQXKSDQEW-UHFFFAOYSA-N
XLogP3.41
TPSA57.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]-4-methyl-1H-quinolin-2-one
CID 70728101
2-(furan-2-yl)-5-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]pyrimidine
CID 56903232
2-fluoro-3-methoxy-N-methyl-6-(1,2,4-triazol-1-yl)aniline
CID 172704588
4-[4-[1-[4-(1,2,4-triazol-1-yl)phenyl]imidazol-2-yl]triazol-1-yl]piperidine
CID 70707181
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-propan-2-ylpiperidine
CID 56879430
4-[5-(2,3-difluoro-6-methoxyphenyl)-3-methyl-1,2,4-triazol-1-yl]-2-methylpyridine
CID 74247116
3-fluoro-4-methoxy-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 86992268
2-methoxy-5-(1,2,4-triazol-1-yl)benzoic acid
CID 82512716
4-[[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]methyl]-1-methylpyrrolidin-2-one
CID 146042997
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
N-[(5-chloro-2-methoxyphenyl)methyl]-N-methyl-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine
CID 46615049
2-(2,6-dimethoxyphenyl)-1-(5-fluoro-2-methylphenyl)imidazole
CID 56745803

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole?
The IUPAC name of 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole (CID 56899429) is 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole.
What is the SMILES notation for 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole?
The canonical SMILES for 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole is COc1ccc(F)c(F)c1-c1nccn1-c1ccc(-n2cncn2)cc1.
What is the InChIKey of 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole?
The InChIKey is FXXICEQXKSDQEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N5O/c1-26-15-7-6-14(19)17(20)16(15)18-22-8-9-24(18)12-2-4-13(5-3-12)25-11-21-10-23-25/h2-11H,1H3.
What are the key properties of 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole?
1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole has a molecular weight of 353.33 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(2,3-difluoro-6-methoxyphenyl)imidazol-1-yl]phenyl]-1,2,4-triazole is sourced from PubChem (CID 56899429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).