2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

C13H14ClN3O2 — CID 86284252

IUPAC2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)C(O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O2/c1-17(8-11-15-5-6-16-11)13(19)12(18)9-3-2-4-10(14)7-9/h2-7,12,18H,8H2,1H3,(H,15,16)
InChIKeyYBXRKTACKFORML-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.76
Rot. Bonds4

About 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide

2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (PubChem CID 86284252) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
PubChem CID86284252
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide
SMILESCN(Cc1ncc[nH]1)C(=O)C(O)c1cccc(Cl)c1
InChIInChI=1S/C13H14ClN3O2/c1-17(8-11-15-5-6-16-11)13(19)12(18)9-3-2-4-10(14)7-9/h2-7,12,18H,8H2,1H3,(H,15,16)
InChIKeyYBXRKTACKFORML-UHFFFAOYSA-N
XLogP1.76
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The IUPAC name of 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide (CID 86284252) is 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The canonical SMILES for 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is CN(Cc1ncc[nH]1)C(=O)C(O)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
The InChIKey is YBXRKTACKFORML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-17(8-11-15-5-6-16-11)13(19)12(18)9-3-2-4-10(14)7-9/h2-7,12,18H,8H2,1H3,(H,15,16).
What are the key properties of 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide?
2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide has a molecular weight of 279.73 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-2-hydroxy-N-(1H-imidazol-2-ylmethyl)-N-methylacetamide is sourced from PubChem (CID 86284252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).