2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole

C20H21FN2O — CID 91516820

IUPAC2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole
SMILESCC(C)Oc1ccc(CCc2ncc[nH]2)c(-c2ccccc2F)c1
InChIInChI=1S/C20H21FN2O/c1-14(2)24-16-9-7-15(8-10-20-22-11-12-23-20)18(13-16)17-5-3-4-6-19(17)21/h3-7,9,11-14H,8,10H2,1-2H3,(H,22,23)
InChIKeyGLDZKKCQPNVSDN-UHFFFAOYSA-N
MW324.40 g/mol
LogP4.79
Rot. Bonds6

About 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole

2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole (PubChem CID 91516820) has the molecular formula C20H21FN2O and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole
PubChem CID91516820
Molecular FormulaC20H21FN2O
Molecular Weight324.40 g/mol
Exact Mass324.16
IUPAC Name2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole
SMILESCC(C)Oc1ccc(CCc2ncc[nH]2)c(-c2ccccc2F)c1
InChIInChI=1S/C20H21FN2O/c1-14(2)24-16-9-7-15(8-10-20-22-11-12-23-20)18(13-16)17-5-3-4-6-19(17)21/h3-7,9,11-14H,8,10H2,1-2H3,(H,22,23)
InChIKeyGLDZKKCQPNVSDN-UHFFFAOYSA-N
XLogP4.79
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Imidazole, 4-(2-(2-naphthyloxy)ethyl)-
CID 202200
Lepidine C
CID 100927765
1H-Imidazole, 4-((3,4-dihydro-6-methoxy-1-methyl-2-naphthalenyl)methyl)-
CID 10467502
5-(6-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-imidazole
CID 10633117
2-(4-Butoxy-phenyl)-1H-imidazole
CID 11195292
4-[3-(3-tert-Butyl-phenoxy)-propyl]-1H-imidazole
CID 11242364
4-[3-(3-Isopropyl-phenoxy)-propyl]-1H-imidazole
CID 11368548
1-{4-[2-(5-Bromo-1H-imidazol-2-yl)ethyl]phenoxy}-3-{[2-(3,4-dimethoxyphenyl)ethyl]amino}propan-2-ol
CID 13621767
2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-1H-imidazole
CID 44449277
N-(3-imidazol-1-ylpropyl)-1-[4-(4-phenoxybutoxy)phenyl]propan-2-amine
CID 44534214
2-[(4-hydroxyphenyl)methyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride
CID 44537337
2-[3-(4-hydroxyphenyl)propyl]-4-[4-[2-(1H-imidazol-2-yl)ethyl]-2,6-diiodophenoxy]phenol;hydrochloride
CID 44537341

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole?
The IUPAC name of 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole (CID 91516820) is 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole.
What is the SMILES notation for 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole?
The canonical SMILES for 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole is CC(C)Oc1ccc(CCc2ncc[nH]2)c(-c2ccccc2F)c1.
What is the InChIKey of 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole?
The InChIKey is GLDZKKCQPNVSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O/c1-14(2)24-16-9-7-15(8-10-20-22-11-12-23-20)18(13-16)17-5-3-4-6-19(17)21/h3-7,9,11-14H,8,10H2,1-2H3,(H,22,23).
What are the key properties of 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole?
2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole has a molecular weight of 324.40 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-fluorophenyl)-4-propan-2-yloxyphenyl]ethyl]-1H-imidazole is sourced from PubChem (CID 91516820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).