2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol

C14H17FN2O — CID 116882853

IUPAC2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C14H17FN2O/c1-3-10(8-18)14-16-7-13(17-14)11-4-5-12(15)9(2)6-11/h4-7,10,18H,3,8H2,1-2H3,(H,16,17)
InChIKeySBBUAKAVHMIYHZ-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.01
Rot. Bonds4

About 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol (PubChem CID 116882853) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
PubChem CID116882853
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
SMILESCCC(CO)c1ncc(-c2ccc(F)c(C)c2)[nH]1
InChIInChI=1S/C14H17FN2O/c1-3-10(8-18)14-16-7-13(17-14)11-4-5-12(15)9(2)6-11/h4-7,10,18H,3,8H2,1-2H3,(H,16,17)
InChIKeySBBUAKAVHMIYHZ-UHFFFAOYSA-N
XLogP3.01
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butanoic acid
CID 116882769
2-[5-(3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882887
2-[5-(2,4-dimethylphenyl)-1H-imidazol-2-yl]butan-1-ol
CID 116882858
3-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]propan-1-ol
CID 116878411
methyl (2S)-2-amino-2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]acetate
CID 102970522
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-2-(methylamino)acetic acid
CID 116883404
2-fluoro-5-(2-propan-2-yl-1H-imidazol-5-yl)phenol
CID 115031921
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]-N-methylethanamine
CID 82290112
[1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]cyclopropyl]methanol
CID 116882008
2-(5-methyl-1H-imidazol-2-yl)butan-1-ol
CID 116882841
2-(4-fluoro-3-methylphenyl)butan-1-ol
CID 82075115
1-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]ethanone
CID 116880620

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The IUPAC name of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol (CID 116882853) is 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol.
What is the SMILES notation for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The canonical SMILES for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol is CCC(CO)c1ncc(-c2ccc(F)c(C)c2)[nH]1.
What is the InChIKey of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol?
The InChIKey is SBBUAKAVHMIYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c1-3-10(8-18)14-16-7-13(17-14)11-4-5-12(15)9(2)6-11/h4-7,10,18H,3,8H2,1-2H3,(H,16,17).
What are the key properties of 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol?
2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol has a molecular weight of 248.30 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]butan-1-ol is sourced from PubChem (CID 116882853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).