N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide

C19H18FN3O2 — CID 111565611

IUPACN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1F)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H18FN3O2/c20-17-4-2-1-3-16(17)18(24)11-22-19(25)15-7-5-14(6-8-15)12-23-10-9-21-13-23/h1-10,13,18,24H,11-12H2,(H,22,25)
InChIKeyCVZJDYLSPPEQPU-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.53
Rot. Bonds6

About N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide

N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide (PubChem CID 111565611) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
PubChem CID111565611
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide
SMILESO=C(NCC(O)c1ccccc1F)c1ccc(Cn2ccnc2)cc1
InChIInChI=1S/C19H18FN3O2/c20-17-4-2-1-3-16(17)18(24)11-22-19(25)15-7-5-14(6-8-15)12-23-10-9-21-13-23/h1-10,13,18,24H,11-12H2,(H,22,25)
InChIKeyCVZJDYLSPPEQPU-UHFFFAOYSA-N
XLogP2.53
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-(imidazol-1-ylmethyl)benzamide
CID 43921399
4-acetamido-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111566086
4-(imidazol-1-ylmethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 43921854
4-(ethylsulfanylmethyl)-N-[2-(2-fluorophenyl)-2-hydroxyethyl]benzamide
CID 111565953
3-fluoro-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-4-methylbenzamide
CID 37424570
N-[2-(dimethylamino)ethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 46774109
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-methoxybenzamide
CID 111566266
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
4-(imidazol-1-ylmethyl)-N-(3-methoxypropyl)benzamide
CID 43918906
4-(imidazol-1-ylmethyl)-N-propan-2-ylbenzamide
CID 43918416
N-[(1R)-1,2-diphenylethyl]-4-(imidazol-1-ylmethyl)benzamide
CID 95297781
N-[2-(1,3-benzothiazol-2-yl)propyl]-4-(imidazol-1-ylmethyl)benzamide
CID 86860575

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide (CID 111565611) is N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide is O=C(NCC(O)c1ccccc1F)c1ccc(Cn2ccnc2)cc1.
What is the InChIKey of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide?
The InChIKey is CVZJDYLSPPEQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c20-17-4-2-1-3-16(17)18(24)11-22-19(25)15-7-5-14(6-8-15)12-23-10-9-21-13-23/h1-10,13,18,24H,11-12H2,(H,22,25).
What are the key properties of N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide?
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-4-(imidazol-1-ylmethyl)benzamide has a molecular weight of 339.37 g/mol, XLogP of 2.53, 6 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]-4-(imidazol-1-ylmethyl)benzamide is sourced from PubChem (CID 111565611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).