2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole

C18H17FN2O2 — CID 91279479

IUPAC2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole
SMILESCOc1ccc(OC)c(-c2ccccc2F)c1Cc1ncc[nH]1
InChIInChI=1S/C18H17FN2O2/c1-22-15-7-8-16(23-2)18(12-5-3-4-6-14(12)19)13(15)11-17-20-9-10-21-17/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyFIHSNBKSZHFLCB-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.82
Rot. Bonds5

About 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole

2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole (PubChem CID 91279479) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole
PubChem CID91279479
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole
SMILESCOc1ccc(OC)c(-c2ccccc2F)c1Cc1ncc[nH]1
InChIInChI=1S/C18H17FN2O2/c1-22-15-7-8-16(23-2)18(12-5-3-4-6-14(12)19)13(15)11-17-20-9-10-21-17/h3-10H,11H2,1-2H3,(H,20,21)
InChIKeyFIHSNBKSZHFLCB-UHFFFAOYSA-N
XLogP3.82
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Lepidine D
CID 100927766
Lepidine C
CID 100927765
2-(3-(2-((1H-Imidazol-2-yl)methyl)-6-methoxyphenoxy)benzyl)-1H-imidazole
CID 131751423
5-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10561331
2-{2-[2-(5-Bromo-2-methoxy-phenyl)-ethyl]-3-fluoro-phenyl}-1H-imidazole
CID 44396125
2-(4-methoxy-5-methyl-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 44449247
2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 44449277
4-[4-[3-(1H-imidazol-2-yl)propyl]-2,6-diiodophenoxy]-2-propan-2-ylphenol;hydrochloride
CID 44537339
1-(1H-Imidazol-2-ylmethyl)-3-[2-(3-methoxyphenyl)ethyl]piperidine
CID 45223826
1-[2-(2,5-Dimethoxyphenyl)ethyl]-3-(1-imidazol-1-ylpropan-2-yl)urea
CID 53526250
N-(1H-imidazol-2-ylmethyl)-N-methyl-1-(2,3,4,5-tetrahydro-1-benzoxepin-4-yl)methanamine
CID 72883296
5-(8-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 22923989

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole?
The IUPAC name of 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole (CID 91279479) is 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole is COc1ccc(OC)c(-c2ccccc2F)c1Cc1ncc[nH]1.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole?
The InChIKey is FIHSNBKSZHFLCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-22-15-7-8-16(23-2)18(12-5-3-4-6-14(12)19)13(15)11-17-20-9-10-21-17/h3-10H,11H2,1-2H3,(H,20,21).
What are the key properties of 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole?
2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole has a molecular weight of 312.34 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-3,6-dimethoxyphenyl]methyl]-1H-imidazole is sourced from PubChem (CID 91279479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).