N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide

C19H18FN3O2 — CID 111566196

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide
SMILESCc1ccc(-n2ccnc2)c(C(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C19H18FN3O2/c1-13-6-7-17(23-9-8-21-12-23)15(10-13)19(25)22-11-18(24)14-4-2-3-5-16(14)20/h2-10,12,18,24H,11H2,1H3,(H,22,25)
InChIKeyMUFBHFNUEHELMB-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.78
Rot. Bonds5

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide (PubChem CID 111566196) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide
PubChem CID111566196
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide
SMILESCc1ccc(-n2ccnc2)c(C(=O)NCC(O)c2ccccc2F)c1
InChIInChI=1S/C19H18FN3O2/c1-13-6-7-17(23-9-8-21-12-23)15(10-13)19(25)22-11-18(24)14-4-2-3-5-16(14)20/h2-10,12,18,24H,11H2,1H3,(H,22,25)
InChIKeyMUFBHFNUEHELMB-UHFFFAOYSA-N
XLogP2.78
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-imidazol-1-yl-5-methylbenzamide
CID 111477581
tert-butyl N-[1-[(2-imidazol-1-yl-5-methylbenzoyl)amino]-3-methylbutan-2-yl]carbamate
CID 86956646
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-2-fluoro-4-methylbenzamide
CID 111791703
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111565611
N-[(2R)-3-hydroxy-2-[(3S)-oxolan-3-yl]propyl]-2-imidazol-1-yl-5-methylbenzamide
CID 100644801
ethane;1-(2-fluoro-4-methylphenyl)imidazole
CID 143815689
2-ethyl-N-[2-(2-fluorophenyl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 111566211
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111565581
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-methyl-5-methylsulfanylbenzamide
CID 111565791
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-hydroxy-5-methylbenzamide
CID 111578636
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-3-imidazol-1-ylbenzamide
CID 111451547

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide (CID 111566196) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide is Cc1ccc(-n2ccnc2)c(C(=O)NCC(O)c2ccccc2F)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide?
The InChIKey is MUFBHFNUEHELMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-13-6-7-17(23-9-8-21-12-23)15(10-13)19(25)22-11-18(24)14-4-2-3-5-16(14)20/h2-10,12,18,24H,11H2,1H3,(H,22,25).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide has a molecular weight of 339.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-2-imidazol-1-yl-5-methylbenzamide is sourced from PubChem (CID 111566196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).