4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline

C18H18FN3O2 — CID 90115395

IUPAC4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline
SMILESCNc1ccc(-c2[nH]cnc2-c2cc(OC)cc(OC)c2)cc1F
InChIInChI=1S/C18H18FN3O2/c1-20-16-5-4-11(8-15(16)19)17-18(22-10-21-17)12-6-13(23-2)9-14(7-12)24-3/h4-10,20H,1-3H3,(H,21,22)
InChIKeyNIIQPJXYGCHGCY-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.94
Rot. Bonds5

About 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline

4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline (PubChem CID 90115395) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline
PubChem CID90115395
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline
SMILESCNc1ccc(-c2[nH]cnc2-c2cc(OC)cc(OC)c2)cc1F
InChIInChI=1S/C18H18FN3O2/c1-20-16-5-4-11(8-15(16)19)17-18(22-10-21-17)12-6-13(23-2)9-14(7-12)24-3/h4-10,20H,1-3H3,(H,21,22)
InChIKeyNIIQPJXYGCHGCY-UHFFFAOYSA-N
XLogP3.94
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-(3,5-dimethoxyphenyl)-1H-imidazol-4-yl]-2,6-difluoro-N,N-dimethylaniline
CID 90115310
2-(difluoromethoxy)-5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]phenol
CID 90115088
disodium;[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] phosphate
CID 77050796
[5-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-methoxyphenyl] dihydrogen phosphate
CID 77050797
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
6-(3,5-dimethoxyphenyl)-5-ethyl-1H-pyrimidine-4-thione
CID 106519161
5-(3-methoxyphenyl)-1H-imidazol-4-amine
CID 82468693
6-(3,5-dimethoxyphenyl)-3-(3-fluoro-4-iodophenyl)-2H-pyrazolo[3,4-b]pyridine
CID 70642714
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
CID 139197183
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
6-[4-(3,4-difluorophenyl)-1H-imidazol-5-yl]-1H-indazole
CID 122510894

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline?
The IUPAC name of 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline (CID 90115395) is 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline.
What is the SMILES notation for 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline?
The canonical SMILES for 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline is CNc1ccc(-c2[nH]cnc2-c2cc(OC)cc(OC)c2)cc1F.
What is the InChIKey of 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline?
The InChIKey is NIIQPJXYGCHGCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-20-16-5-4-11(8-15(16)19)17-18(22-10-21-17)12-6-13(23-2)9-14(7-12)24-3/h4-10,20H,1-3H3,(H,21,22).
What are the key properties of 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline?
4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline has a molecular weight of 327.36 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,5-dimethoxyphenyl)-1H-imidazol-5-yl]-2-fluoro-N-methylaniline is sourced from PubChem (CID 90115395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).