3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide

C17H22ClN3O2 — CID 166218702

IUPAC3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
SMILESCC(C)Cn1ccnc1CNC(=O)C(O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O2/c1-12(2)11-21-7-6-19-16(21)10-20-17(23)15(22)9-13-4-3-5-14(18)8-13/h3-8,12,15,22H,9-11H2,1-2H3,(H,20,23)
InChIKeyKMRXMRIQZCQOOK-UHFFFAOYSA-N
MW335.84 g/mol
LogP2.41
Rot. Bonds7

About 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide

3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide (PubChem CID 166218702) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.84 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
PubChem CID166218702
Molecular FormulaC17H22ClN3O2
Molecular Weight335.84 g/mol
Exact Mass335.14
IUPAC Name3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide
SMILESCC(C)Cn1ccnc1CNC(=O)C(O)Cc1cccc(Cl)c1
InChIInChI=1S/C17H22ClN3O2/c1-12(2)11-21-7-6-19-16(21)10-20-17(23)15(22)9-13-4-3-5-14(18)8-13/h3-8,12,15,22H,9-11H2,1-2H3,(H,20,23)
InChIKeyKMRXMRIQZCQOOK-UHFFFAOYSA-N
XLogP2.41
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.84
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide?
The IUPAC name of 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide (CID 166218702) is 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide.
What is the SMILES notation for 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide?
The canonical SMILES for 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide is CC(C)Cn1ccnc1CNC(=O)C(O)Cc1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide?
The InChIKey is KMRXMRIQZCQOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3O2/c1-12(2)11-21-7-6-19-16(21)10-20-17(23)15(22)9-13-4-3-5-14(18)8-13/h3-8,12,15,22H,9-11H2,1-2H3,(H,20,23).
What are the key properties of 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide?
3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide has a molecular weight of 335.84 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2-hydroxy-N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]propanamide is sourced from PubChem (CID 166218702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).